3-(5-amino-1H-1,3-benzodiazol-2-yl)propanoic acid dihydrochloride

3-(5-amino-1H-1,3-benzodiazol-2-yl)propanoic acid dihydrochloride

CAS: 1158308-31-6

Formula: C10H13Cl2N3O2

SMILES: Cl.Cl.NC1=CC=C2NC(CCC(O)=O)=NC2=C1

IUPAC: 3-(5-amino-1H-1,3-benzodiazol-2-yl)propanoic acid dihydrochloride

InChI: InChI=1S/C10H11N3O2.2ClH/c11-6-1-2-7-8(5-6)13-9(12-7)3-4-10(14)15;;/h1-2,5H,3-4,11H2,(H,12,13)(H,14,15);2*1H

Composition: C (43.18%), H (4.71%), Cl (25.49%), N (15.11%), O (11.50%)

Molar Mass: 278.13

Atom Count: 30

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.0384821
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	PEGJKNSOWRSSRA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55
Topological Polar Surface Area	92
Polarizability	21.81
Ring Count	2
Rotatable Bond Count	3

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