Name: compound
SMILES:
NCC1CCCN1Cc1ccccc1Molecular Processing
Molecular formula
C12H18N2
Molecular weight
190.29
Exact mass
190.147
XLogP
1.61
TPSA
29.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.93
Supplementary Information
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