Molecule

ID:24508

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂O
Molecular Mass
226.7026
Exact Mass
226.08729079
Charge
0
InChI
InChI=1S/C11H15ClN2O/c1-13-11(15)6-7-14-8-9-4-2-3-5-10(9)12/h2-5,14H,6-8H2,1H3,(H,13,15)
InChIKey
VBHVITDRDLHPRT-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCNCc1ccccc1Cl
Isomeric Smiles
C(=O)(CCNCc1c(Cl)cccc1)NC
Calculated Properties
JChem
Acid pKa
15.107383
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.4429629
LogD (pH = 7.4)
0.2638509
Log P
1.2673688
Molar Refractivity
61.6137
Polarizability
24.135344
Polar Surface Area
41.13
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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