Chelist Moleculee
JRC CODE:JRC-000540
cas:107-18-6
einecs:203-470-7
smiles:OCC=C
name:Allyl Alcohol
MW:58.0791
formula:C3H6O
InChi:
InChiKey:
SMARTS:
Other names
2-Propen-1-ol
Allyl alcohol (8CI)
1-Hydroxy-2-propene
1-Propen-3-ol
2-Propenol
2-Propenyl alcohol
3-Hydroxy-1-propene
3-Hydroxypropene
Allylic alcohol
NSC 6526
Shell unkrauttod A
Vinylcarbinol

Search by similarity
Tanimoto index:
The algorithm applies nearest neighbor searching that finds molecules similar to the query object. The calculation applies the Tanimoto (or Jaccard) coefficient that is calculated by the following formula in the case of binary fingerprint (bit string) input: T(A,B) = NA&B/(NA+NB-NA&B) where NA and NB are the number of bits set in the bit strings of molecules A and B, respectively, NA&B is the number of bits that are set in both.

Inventory List where this chemical is present

TOXCAST PHASE II (535): US EPA ToxCast list - phase II (International Research Projects)
TOX21 LIST1 (8205): Tox21 Chemical Inventory for High-Throughput Screening (International Research Projects)
REACH PRS (143835): ECHA list of pre-registered substances (Regulatory)
NTP CYTOTOX (1353): Compound Cytotoxicity Profiling Using Quantitative High-Throughput Screening (International Research Projects)
Japanese TGx project (132): TG-GATEs (Genomics-Assisted Toxicity Evaluation System developed by the Toxicogenomics Project in Japan) (International Research Projects)
REACH REG (14803): Reach Registrations (Regulatory)
SEURAT-1 GC (19): SEURAT-1 Gold Compounds (EU Research Projects)