COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1
SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C18H25N3O6
Molecular weight
379.41
Exact mass
379.1743
XLogP
1.35
TPSA
127.64
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
97.81

Supplementary Information

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