이름: compound
SMILES:
CCCc1nc2cc3c(cc2[nH]1)NC(=O)C3(C)C(=O)OCCMolecular Processing
Molecular formula
C16H19N3O3
Molecular weight
301.35
Exact mass
301.1426
XLogP
2.29
TPSA
84.08
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
82.7
Supplementary Information
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