Name: 3-amino-ε-caprolactam
SMILES:
NC1CCCNC(=O)C1Molecular Processing
Molecular formula
C6H12N2O
Molecular weight
128.17
Exact mass
128.095
XLogP
-0.39
TPSA
55.12
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
34.84
Supplementary Information
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