Name: alcohol
SMILES:
OCc1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2c1Molecular Processing
Molecular formula
C16H13N3O
Molecular weight
263.3
Exact mass
263.1059
XLogP
3.2
TPSA
64.7
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
79.31
Supplementary Information
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