Name: 2-(5-nitroindol-1-yl)acetonitrile
SMILES:
N#CCn1ccc2cc([N+](=O)[O-])ccc21Molecular Processing
Molecular formula
C10H7N3O2
Molecular weight
201.18
Exact mass
201.0538
XLogP
2.07
TPSA
71.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
54.21
Supplementary Information
InChIKey: MXHDEKUFFUVJTL-UHFFFAOYSA-N
Synonyme
SCHEMBL5731205MXHDEKUFFUVJTL-UHFFFAOYSA-N(5-Nitro-indol-1-yl)-acetonitrile
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