Molecule

ID:69336

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄ClNO
Molecular Mass
235.70936
Exact Mass
235.07639175
Charge
0
InChI
InChI=1S/C13H13NO.ClH/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12;/h1-9H,10,14H2;1H
InChIKey
USRYZTSPSJXQFU-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1Oc1ccccc1.Cl
Isomeric Smiles
C(N)c1c(cccc1)Oc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3349101
LogD (pH = 7.4)
0.8872534
Log P
2.5993013
Molar Refractivity
60.7722
Polarizability
24.068033
Polar Surface Area
35.25
Rotatable Bonds
3
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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