SMILES:
NCCC1=CCCc2ccccc21Molecular Processing
Molecular formula
C12H15N
Molecular weight
173.26
Exact mass
173.1204
XLogP
2.37
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
56.41
Supplementary Information
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