1-(5-nitropyridin-2-yl)-1,4-diazepane

1-(5-nitropyridin-2-yl)-1,4-diazepane

CAS: 287114-27-6

Formula: C10H14N4O2

SMILES: [O-][N+](=O)C1=CN=C(C=C1)N1CCCNCC1

IUPAC: 1-(5-nitropyridin-2-yl)-1,4-diazepane

InChI: InChI=1S/C10H14N4O2/c15-14(16)9-2-3-10(12-8-9)13-6-1-4-11-5-7-13/h2-3,8,11H,1,4-7H2

Composition: C (54.04%), H (6.35%), N (25.21%), O (14.40%)

Molar Mass: 222.248

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	222.111675707
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HVIKXFXKZFWDTQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.58
Topological Polar Surface Area	71.3
Polarizability	22.47
Ring Count	2
Rotatable Bond Count	2

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