Molecule

ID:13982

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀ClNO
Molecular Mass
229.7463
Exact Mass
229.12334195
Charge
0
InChI
InChI=1S/C12H19NO.ClH/c1-10-6-4-5-7-12(10)8-13-11(2)9-14-3;/h4-7,11,13H,8-9H2,1-3H3;1H
InChIKey
FSPFNDGDOPSELK-UHFFFAOYSA-N
Canonic Smiles
COCC(NCc1ccccc1C)C.Cl
Isomeric Smiles
c1(c(cccc1)C)CNC(COC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.70928824
LogD (pH = 7.4)
0.57884806
Log P
2.4146156
Molar Refractivity
59.8095
Polarizability
23.543161
Polar Surface Area
21.26
Rotatable Bonds
5
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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