5-(1H-1,3-benzodiazol-2-yl)pentanoic acid

5-(1H-1,3-benzodiazol-2-yl)pentanoic acid

CAS: 14678-78-5

Formula: C12H14N2O2

SMILES: OC(=O)CCCCC1=NC2=CC=CC=C2N1

IUPAC: 5-(1H-1,3-benzodiazol-2-yl)pentanoic acid

InChI: InChI=1S/C12H14N2O2/c15-12(16)8-4-3-7-11-13-9-5-1-2-6-10(9)14-11/h1-2,5-6H,3-4,7-8H2,(H,13,14)(H,15,16)

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.105527699
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NVXHPONACTZBEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.5
Topological Polar Surface Area	65.98
Polarizability	24.28
Ring Count	2
Rotatable Bond Count	5

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