O=S(=O)(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1
SMILES: O=S(=O)(c1cc2cc(Cl)ccc2[nH]1)N1CCNCC1

Molecular Processing

Molecular formula
C12H14ClN3O2S
Molecular weight
299.78
Exact mass
299.0495
XLogP
1.42
TPSA
65.2
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
74.94

Supplementary Information

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