Molecule

ID:33127

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClN₂O
Molecular Mass
250.724
Exact Mass
250.08729079
Charge
0
InChI
InChI=1S/C13H15ClN2O/c1-8-6-11-12(7-10(8)14)17-13(16-11)9-2-4-15-5-3-9/h6-7,9,15H,2-5H2,1H3
InChIKey
KUIHYDOXRHAQST-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2oc(nc2cc1C)C1CCNCC1
Isomeric Smiles
n1c(oc2c1cc(c(c2)Cl)C)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5420413
LogD (pH = 7.4)
0.31636608
Log P
2.663974
Molar Refractivity
67.4414
Polarizability
27.378998
Polar Surface Area
38.06
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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