CC(C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N
Name: 2-(3,3-dimethyl-but-1-ynyl)-6-fluoro-4-nitro-phenylamine
SMILES: CC(C)(C)C#Cc1cc([N+](=O)[O-])cc(F)c1N

Molecular Processing

Molecular formula
C12H13FN2O2
Molecular weight
236.25
Exact mass
236.0961
XLogP
2.71
TPSA
69.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.8

Supplementary Information

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