Molecule

ID:21066

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClNO
Molecular Mass
227.73042
Exact Mass
227.10769188
Charge
0
InChI
InChI=1S/C12H17NO.ClH/c1-2-10-4-3-5-11(8-10)14-12-6-7-13-9-12;/h3-5,8,12-13H,2,6-7,9H2,1H3;1H
InChIKey
IZJIYWGMTJMMPJ-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cc(ccc2)CC)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8731744
LogD (pH = 7.4)
-0.38968495
Log P
2.357363
Molar Refractivity
57.4544
Polarizability
22.790653
Polar Surface Area
21.26
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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