Molecule

ID:10411

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂
Molecular Mass
234.03765
Exact Mass
233.96539623
Charge
0
InChI
InChI=1S/C6H7IN2/c7-5-1-3-6(9-8)4-2-5/h1-4,9H,8H2
InChIKey
IQMLCMKMSBMMGR-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)I
Isomeric Smiles
c1c(ccc(c1)NN)I
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.0833714
LogD (pH = 7.4)
2.2904356
Log P
2.293833
Molar Refractivity
49.1272
Polarizability
18.049622
Polar Surface Area
38.05
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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