Chelist Moleculee

cas:	123-08-0
einecs:	204-599-1
smiles:	Oc1ccc(C=O)cc1
name:	4-Hydroxybenzaldehyde
MW:	122.1213
formula:	C7H6O2
InChi:
InChiKey:
SMARTS:

Other names
4-hydroxybenzaldehyde

Search by similarity

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) = N_A&B/(N_A+N_B-N_A&B) where N_A and N_B are the number of bits set in the bit strings of molecules A and B, respectively, N_A&B is the number of bits that are set in both.

Inventory List where this chemical is present

REACH PRS (143825): ECHA list of pre-registered substances (Regulatory)
REACH REG (19180): Reach Registrations (Regulatory)
Skin Sensitisation (269): Skin Sensitisation Dataset (JRC Projects)