CCCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C2=C(Cl)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1
Name: ester
SMILES: CCCCC[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(C2=C(Cl)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1

Molecular Processing

Molecular formula
C33H36ClNO6S
Molecular weight
610.17
Exact mass
609.1952
XLogP
9.3
TPSA
95.74
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
14
Heavy atoms
42
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.394
Molar refractivity
165.93

Supplementary Information

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