이름: N-methylcaprolactam
SMILES:
CN1CCCCCC1=OMolecular Processing
Molecular formula
C7H13NO
Molecular weight
127.19
Exact mass
127.0997
XLogP
1.02
TPSA
20.31
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
36.1
Supplementary Information
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