COc1c(NC(=O)c2cc3c([N+](=O)[O-])cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O
Name: nitro
SMILES: COc1c(NC(=O)c2cc3c([N+](=O)[O-])cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

Molecular Processing

Molecular formula
C21H23N3O6S2
Molecular weight
477.56
Exact mass
477.1028
XLogP
4.74
TPSA
127.64
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
126.59

Supplementary Information

Details werden geladen…

An 3 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→