CNC(=S)C1=C(O)C(C)(C)Oc2ccc(C#N)cc21
Name: N-methyl-6-cyano-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-carbothioamide
SMILES: CNC(=S)C1=C(O)C(C)(C)Oc2ccc(C#N)cc21

Molecular Processing

Molecular formula
C14H14N2O2S
Molecular weight
274.34
Exact mass
274.0776
XLogP
2.55
TPSA
65.28
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
77.07

Supplementary Information

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