Molecule

ID:65698

General Information
Structure
MolImage
Molecular Formula
C₈H₇IN₂
Molecular Mass
258.05905
Exact Mass
257.96539623
Charge
0
InChI
InChI=1S/C8H7IN2/c1-6-4-7(9)8-10-2-3-11(8)5-6/h2-5H,1H3
InChIKey
SMRSBXOQYLSCEN-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(I)c2n(c1)ccn2
Isomeric Smiles
c1(cn2c(c(c1)I)ncc2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6101437
LogD (pH = 7.4)
2.1808393
Log P
2.2019153
Molar Refractivity
54.3401
Polarizability
20.229052
Polar Surface Area
17.3
Rotatable Bonds
0
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
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References
Bioactivity
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