Molecule

ID:33404

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂ClNO
Molecular Mass
209.67208
Exact Mass
209.06074169
Charge
0
InChI
InChI=1S/C11H12ClNO/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3
InChIKey
DSJHZFICMUDISP-UHFFFAOYSA-N
Canonic Smiles
Clc1oc2c(n1)cc(cc2)C(C)(C)C
Isomeric Smiles
n1c(oc2c1cc(C(C)(C)C)cc2)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.778936
LogD (pH = 7.4)
3.778936
Log P
3.778936
Molar Refractivity
56.4149
Polarizability
23.129564
Polar Surface Area
26.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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