Molecular Identity
Chlorohexidine
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
PubChem CID: 2713
2D Structure
Properties
C22H30Cl2N10
Molecular Formula
505.40
Molecular Weight
g/mol
504.2032
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
178
TPSA
May have limited oral absorption
6
H-Bond Donors
2
H-Bond Acceptors
648
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)ClIsomeric SMILES
SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)ClSynonyms(20)
ChlorohexidineMFCD00009673Chlorhexidine BaseChlorhexidine CRSSCHEMBL3984SCHEMBL158796SCHEMBL828638orb1224678orb1310088orb3139421SCHEMBL1735342SCHEMBL1735345SCHEMBL4012204SCHEMBL9931995C22H30Cl2N10
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Chlorohexidine
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