SMILES:
NCC1Cc2ccc(-c3ccc(=O)[nH]n3)cc2C1Molecular Processing
Molecular formula
C14H15N3O
Molecular weight
241.29
Exact mass
241.1215
XLogP
1.11
TPSA
71.77
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
70.25
Supplementary Information
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