CC(C)c1oc2c(ccc3[nH]nc(I)c32)c(=O)c1-c1ccc(Cl)cc1
SMILES: CC(C)c1oc2c(ccc3[nH]nc(I)c32)c(=O)c1-c1ccc(Cl)cc1

Molecular Processing

Molecular formula
C19H14ClIN2O2
Molecular weight
464.69
Exact mass
463.9789
XLogP
5.72
TPSA
58.89
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
109.39

Supplementary Information

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