이름: amine
SMILES:
CC(N)C1(c2ccc(Cl)c(Cl)c2)CCC1Molecular Processing
Molecular formula
C12H15Cl2N
Molecular weight
244.16
Exact mass
243.0582
XLogP
3.76
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.64
Supplementary Information
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