C1CN(C2=C1C=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]
名称: 5-chloro-1-(4-chloro-2-nitrophenyl)-2,3-dihydroindole
SMILES: C1CN(C2=C1C=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Molecular Processing

Molecular formula
C14H10Cl2N2O2
Molecular weight
309.15
Exact mass
308.0119
XLogP
4.6
TPSA
46.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
80.27

Supplementary Information

InChIKey: UXNWLBXUBPOOAI-UHFFFAOYSA-N
同義語
SCHEMBL10623794UXNWLBXUBPOOAI-UHFFFAOYSA-N5-Chloro-1-(4chloro-2-nitrophenyl)indoline5-chloro-1-(4-chloro-2-nitrophenyl)indoline
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