Molecule

ID:101430

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉IN₂
Molecular Mass
284.09633
Exact Mass
283.9810463
Charge
0
InChI
InChI=1S/C10H9IN2/c1-8-12-6-7-13(8)10-4-2-9(11)3-5-10/h2-7H,1H3
InChIKey
REVPKMONQSPHGF-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc(cc1)n1ccnc1C
Isomeric Smiles
n1(c(ncc1)C)c1ccc(cc1)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.436344
LogD (pH = 7.4)
2.3944118
Log P
2.5343
Molar Refractivity
71.8096
Polarizability
24.211021
Polar Surface Area
17.82
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
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References
Bioactivity
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