الاسم: 3-mercapto-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILES:
N#Cc1cc2c(cc1S)CCCC2Molecular Processing
Molecular formula
C11H11NS
Molecular weight
189.28
Exact mass
189.0612
XLogP
2.73
TPSA
23.79
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
55.05
Supplementary Information
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