(3R)-1-(6-nitroquinoxalin-2-yl)pyrrolidin-3-ol

(3R)-1-(6-nitroquinoxalin-2-yl)pyrrolidin-3-ol

CAS: 1417789-06-0

Formula: C12H12N4O3

SMILES: O[C@@H]1CCN(C1)C1=NC2=CC=C(C=C2N=C1)[N+]([O-])=O

IUPAC: (3R)-1-(6-nitroquinoxalin-2-yl)pyrrolidin-3-ol

InChI: InChI=1S/C12H12N4O3/c17-9-3-4-15(7-9)12-6-13-11-5-8(16(18)19)1-2-10(11)14-12/h1-2,5-6,9,17H,3-4,7H2/t9-/m1/s1

Composition: C (55.38%), H (4.65%), N (21.53%), O (18.44%)

Molar Mass: 260.253

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	260.090940262
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZBKWOMJMWRYHNL-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.37
Topological Polar Surface Area	92.39
Polarizability	26.33
Ring Count	3
Rotatable Bond Count	2

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