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1H-1,3-benzodiazole-2-carboxamide

1H-1,3-benzodiazole-2-carboxamide

CAS: 5805-52-7

Formula: C8H7N3O

SMILES: NC(=O)C1=NC2=CC=CC=C2N1

IUPAC: 1H-1,3-benzodiazole-2-carboxamide

InChI: InChI=1S/C8H7N3O/c9-7(12)8-10-5-3-1-2-4-6(5)11-8/h1-4H,(H2,9,12)(H,10,11)

Composition: C (59.62%), H (4.38%), N (26.07%), O (9.93%)

Molar Mass: 161.164

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 161.058911857
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey XIZCDQOKKYYCRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.52
Topological Polar Surface Area 71.77
Polarizability 17.49
Ring Count 2
Rotatable Bond Count 1

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