Cc1c(N)c([N+](=O)[O-])cc2c1C(=O)N(C1CCN(C)CC1)C2=O
Name: 5-Amino-4-methyl-2-(1-methyl-piperidin-4-yl)-6-nitro-isoindole-1,3-dione
SMILES: Cc1c(N)c([N+](=O)[O-])cc2c1C(=O)N(C1CCN(C)CC1)C2=O

Molecular Processing

Molecular formula
C15H18N4O4
Molecular weight
318.33
Exact mass
318.1328
XLogP
1.18
TPSA
109.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
83.26

Supplementary Information

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