C1CN(C(C2=C1NN=C2)CO)S(=O)(=O)C3=CC=C(C=C3)Cl
الاسم: [5-(4-chlorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-4-yl]methanol
SMILES: C1CN(C(C2=C1NN=C2)CO)S(=O)(=O)C3=CC=C(C=C3)Cl

Molecular Processing

Molecular formula
C13H14ClN3O3S
Molecular weight
327.79
Exact mass
327.0444
XLogP
1.34
TPSA
86.29
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
77.46

Supplementary Information

InChIKey: XJXQJWGKRLKOFX-UHFFFAOYSA-N
مرادفات
CHEMBL1090406SCHEMBL3071778SCHEMBL3075367XJXQJWGKRLKOFX-UHFFFAOYSA-NBDBM50482048(5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-4-yl)methanol(5-(4-chlorophenylsulfonyl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-4-yl)methanol
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