Molecule

ID:34040

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₂O
Molecular Mass
240.72918
Exact Mass
240.10294085
Charge
0
InChI
InChI=1S/C12H16N2O.ClH/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,13H2;1H
InChIKey
OOKGNGIDKDJFSC-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)c1ccccc1.Cl
Isomeric Smiles
N1(C(=O)c2ccccc2)CC(N)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0395858
LogD (pH = 7.4)
-1.0379862
Log P
0.939819
Molar Refractivity
60.0908
Polarizability
23.16495
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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