Cc1cc(I)ccc1Nc1cnccc1C(=O)O
SMILES: Cc1cc(I)ccc1Nc1cnccc1C(=O)O

Molecular Processing

Molecular formula
C13H11IN2O2
Molecular weight
354.15
Exact mass
353.9865
XLogP
3.44
TPSA
62.22
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
78.38

Supplementary Information

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