O=[N+]([O-])c1cc(F)ccc1OCCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCSC3
SMILES: O=[N+]([O-])c1cc(F)ccc1OCCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCSC3

Molecular Processing

Molecular formula
C23H26FN3O3S
Molecular weight
443.54
Exact mass
443.1679
XLogP
4.43
TPSA
58.85
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
120.7

Supplementary Information

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