Molecule

ID:121142

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H14N2O.ClH/c14-9-10-5-4-6-12-11(10)13-7-2-1-3-8-13;/h4-6,9H,1-3,7-8H2;1H
InChIKey
RVOSEPWVRLVFNM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1N1CCCCC1.Cl
Isomeric Smiles
c1(N2CCCCC2)c(C=O)cccn1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7916691
LogD (pH = 7.4)
2.0170693
Log P
2.0209432
Molar Refractivity
57.3692
Polarizability
20.942236
Polar Surface Area
33.2
Rotatable Bonds
2
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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