SMILES:
C=CCNC1C=Cc2ccccc2CC1Molecular Processing
Molecular formula
C14H17N
Molecular weight
199.3
Exact mass
199.1361
XLogP
2.79
TPSA
12.03
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
65.78
Supplementary Information
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