Cc1cc([N+](=O)[O-])ccc1N=C1SCC(CC(C)C)N1CC(=O)C(C)(C)C
SMILES: Cc1cc([N+](=O)[O-])ccc1N=C1SCC(CC(C)C)N1CC(=O)C(C)(C)C

Molecular Processing

Molecular formula
C20H29N3O3S
Molecular weight
391.54
Exact mass
391.193
XLogP
4.97
TPSA
75.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
111.8

Supplementary Information

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