SMILES:
CC1c2cc(C(=O)O)ccc2CCC1n1ccnc1Molecular Processing
Molecular formula
C15H16N2O2
Molecular weight
256.3
Exact mass
256.1212
XLogP
2.87
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
71.4
Supplementary Information
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