C1=CC(=CC=C1NC2=NC(=NC3=C2NC=N3)Cl)[N+](=O)[O-]
名称: 2-chloro-N-(4-nitrophenyl)-7H-purin-6-amine
SMILES: C1=CC(=CC=C1NC2=NC(=NC3=C2NC=N3)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C11H7ClN6O2
Molecular weight
290.67
Exact mass
290.0319
XLogP
2.66
TPSA
109.63
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
73.07

Supplementary Information

InChIKey: DVBLPVYJSAJOFL-UHFFFAOYSA-N
同義語
SCHEMBL5839889SCHEMBL5839891DVBLPVYJSAJOFL-UHFFFAOYSA-N2-Chloro-6-(4-nitro-phenyl-amino)-purine
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