CHLORHEXIDINE HYDROCHLORIDE

Search structure
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: E64XL9U38K

Structure
InChI Key WJLVQTJZDCGNJN-UHFFFAOYSA-N
Smile Cl.Cl.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChI
InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32Cl4N10
Molecular Weight 578.38
AlogP 4.18
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 9.0
Polar Surface Area 167.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 34.0

Cross References

Resources Reference
ChEBI 31393
ChEMBL CHEMBL1484251
EPA CompTox DTXSID7047144
FDA SRS E64XL9U38K
PubChem 66810670
SureChEMBL SCHEMBL23926400
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