이름: (1S)-N-isobutyl-1-phenylprop-2-en-1-amine
SMILES:
C=C[C@H](NCC(C)C)c1ccccc1Molecular Processing
Molecular formula
C13H19N
Molecular weight
189.3
Exact mass
189.1517
XLogP
3.16
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.22
Supplementary Information
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