이름: 6-propylcarbonylamino-5-nitro-3-ethoxycarbonyl-3-methylindolin-2-one
SMILES:
CCCC(=O)Nc1cc2c(cc1[N+](=O)[O-])C(C)(C(=O)OCC)C(=O)N2Molecular Processing
Molecular formula
C16H19N3O6
Molecular weight
349.34
Exact mass
349.1274
XLogP
2.11
TPSA
127.64
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.25
Supplementary Information
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