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dazoxiben hydrochloride

dazoxiben hydrochloride

CAS: 74226-22-5

Formula: C12H13ClN2O3

SMILES: Cl[H].OC(=O)C1=CC=C(OCCN2C=CN=C2)C=C1

IUPAC: 4-[2-(1H-imidazol-1-yl)ethoxy]benzoic acid hydrochloride

InChI: InChI=1S/C12H12N2O3.ClH/c15-12(16)10-1-3-11(4-2-10)17-8-7-14-6-5-13-9-14;/h1-6,9H,7-8H2,(H,15,16);1H

Composition: C (53.64%), H (4.88%), Cl (13.19%), N (10.43%), O (17.86%)

Molar Mass: 268.7

Atom Count: 31

Heavy Atom Count: 18

Properties
Properties
Common Names dazoxiben hydrochloride
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.06147
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey PVKDFUXBDJPRGU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.72
Topological Polar Surface Area 64.35
Polarizability 23.37
Ring Count 2
Rotatable Bond Count 5

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