Molecule

ID:113020

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClIN₂
Molecular Mass
304.51481
Exact Mass
303.92642388
Charge
0
InChI
InChI=1S/C9H6ClIN2/c1-5-6-4-7(11)9(10)13-8(6)2-3-12-5/h2-4H,1H3
InChIKey
SIQXQAGZZMBTNP-UHFFFAOYSA-N
Canonic Smiles
Ic1cc2c(C)nccc2nc1Cl
Isomeric Smiles
n1c(c(cc2c1ccnc2C)I)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7774436
LogD (pH = 7.4)
2.7975023
Log P
2.7977645
Molar Refractivity
61.6425
Polarizability
24.870178
Polar Surface Area
25.78
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
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Molecule Details
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References
Bioactivity
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