Molecule

ID:32959

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClINO₂
Molecular Mass
323.51485
Exact Mass
322.92100415
Charge
0
InChI
InChI=1S/C9H7ClINO2/c1-14-8(13)3-2-6-7(11)4-5-12-9(6)10/h2-5H,1H3/b3-2+
InChIKey
PFURSIHBCIIRFW-NSCUHMNNSA-N
Canonic Smiles
COC(=O)/C=C/c1c(I)ccnc1Cl
Isomeric Smiles
c1cnc(c(c1I)/C=C/C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0508063
LogD (pH = 7.4)
3.0508075
Log P
3.0508075
Molar Refractivity
64.9007
Polarizability
24.673162
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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