meta-chlorphenylbiguanide   Click here for help

GtoPdb Ligand ID: 2287

Abbreviated name: mCPBG
Synonyms: 1-(3-chlorophenyl)biguanide | 3-chlorophenyl-biguanide | m-chlorophenylbiguanide
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 102.78
Molecular weight 211.06
XLogP 0.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1cccc(c1)N=C(N=C(N)N)N
Isomeric SMILES Clc1cccc(c1)N=C(N=C(N)N)N
InChI InChI=1S/C8H10ClN5/c9-5-2-1-3-6(4-5)13-8(12)14-7(10)11/h1-4H,(H6,10,11,12,13,14)
InChI Key DIHXJZHAIHGSAW-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-(3-chlorophenyl)-1-(diaminomethylidene)guanidine
Synonyms Click here for help
1-(3-chlorophenyl)biguanide | 3-chlorophenyl-biguanide | m-chlorophenylbiguanide
Database Links Click here for help
CAS Registry No. 2113-05-5
ChEMBL Ligand CHEMBL13790
GtoPdb PubChem SID 135650380
PubChem CID 1354
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Wikipedia Chlorophenylbiguanide