CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cc[nH]n4)nc3cc2Oc2cccnc2C#N)cn1
SMILES: CS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4cc[nH]n4)nc3cc2Oc2cccnc2C#N)cn1

Molecular Processing

Molecular formula
C22H15N7O4S
Molecular weight
473.47
Exact mass
473.0906
XLogP
3.6
TPSA
159.53
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.045
Molar refractivity
120.12

Supplementary Information

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