Nom: N-methyl-6-nitro-spiro[2H-1benzopyran-2,1'-cyclohexane]-4-carbothioamide
SMILES:
CNC(=S)C1=CC2(CCCCC2)Oc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C16H18N2O3S
Molecular weight
318.4
Exact mass
318.1038
XLogP
3.62
TPSA
64.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
89.18
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→