Molecule

ID:88700

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄ClNO
Molecular Mass
211.68796
Exact Mass
211.07639175
Charge
0
InChI
InChI=1S/C11H13NO.ClH/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10;/h1-5H,6-9H2;1H
InChIKey
HJEBZLGYRSNAAP-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)c1ccccc1.Cl
Isomeric Smiles
N1(c2ccccc2)CCC(=O)CC1.Cl
Calculated Properties
JChem
Acid pKa
18.281229
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.040286
LogD (pH = 7.4)
2.063943
Log P
2.064253
Molar Refractivity
52.962
Polarizability
20.022024
Polar Surface Area
20.31
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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