COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(O)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1
SMILES: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(O)CCC(c2ccccc2)c2ccccc2)C1c1cccc([N+](=O)[O-])c1

Molecular Processing

Molecular formula
C33H35N3O7
Molecular weight
585.66
Exact mass
585.2475
XLogP
5.46
TPSA
131.24
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
43
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
160.05

Supplementary Information

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