Molecule

ID:103001

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN
Molecular Mass
215.6782
Exact Mass
215.05017701
Charge
0
InChI
InChI=1S/C13H9N.ClH/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;/h1-9H;1H
InChIKey
XUESTGHCVFYOLL-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nc1c(c2)cccc1.Cl
Isomeric Smiles
Cl.c1ccc2nc3ccccc3cc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8052485
LogD (pH = 7.4)
3.4829233
Log P
3.5062275
Molar Refractivity
56.0575
Polarizability
24.767927
Polar Surface Area
12.89
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
References
Bioactivity
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