Molecule

ID:12976

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H11NO.ClH/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9;/h1-8,11H,12H2;1H
InChIKey
KAVRGSABTKZCGN-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccco1)c1ccccc1.Cl
Isomeric Smiles
NC(c1ccccc1)c1occc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.16771662
LogD (pH = 7.4)
1.4919589
Log P
1.9435011
Molar Refractivity
51.2051
Polarizability
20.16083
Polar Surface Area
39.16
Rotatable Bonds
2
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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