이름: 2-amino-4-chloropropoxy-5-methoxy-benzonitrile
SMILES:
COc1cc(C#N)c(N)cc1OCCCClMolecular Processing
Molecular formula
C11H13ClN2O2
Molecular weight
240.69
Exact mass
240.0666
XLogP
2.16
TPSA
68.27
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
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
0.364
Molar refractivity
62.95
Supplementary Information
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