SMILES:
CCCN(CC=CCl)Cc1cccc(O)c1Molecular Processing
Molecular formula
C13H18ClNO
Molecular weight
239.75
Exact mass
239.1077
XLogP
3.36
TPSA
23.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
68.67
Supplementary Information
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