이름: acid 134
SMILES:
C=CC1CC1(NC(=O)C1CC(Oc2nc(-c3ccc(OC)cc3)nc3c(C)c(OC)ccc23)CC1C(=O)O)C(=O)OCCMolecular Processing
Molecular formula
C32H35N3O8
Molecular weight
589.65
Exact mass
589.2424
XLogP
4.1
TPSA
146.17
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.406
Molar refractivity
156.89
Supplementary Information
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