Molecule

ID:32458

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂O
Molecular Mass
250.03705
Exact Mass
249.96031085
Charge
0
InChI
InChI=1S/C6H7IN2O/c1-10-5-3-9-2-4(8)6(5)7/h2-3H,8H2,1H3
InChIKey
SCHIBSNVRCPAFQ-UHFFFAOYSA-N
Canonic Smiles
COc1cncc(c1I)N
Isomeric Smiles
c1(cncc(c1I)N)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.6833665
LogD (pH = 7.4)
0.69773364
Log P
0.6979206
Molar Refractivity
48.4272
Polarizability
18.41638
Polar Surface Area
48.14
Rotatable Bonds
1
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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