Molecule

ID:11628

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O
Molecular Mass
266.76646
Exact Mass
266.11859092
Charge
0
InChI
InChI=1S/C14H19ClN2O/c15-11-14(18)16-12-7-3-4-8-13(12)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,16,18)
InChIKey
HAGDLBIXXCCOEH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1N1CCCCCC1
Isomeric Smiles
N1(c2c(NC(=O)CCl)cccc2)CCCCCC1
Calculated Properties
JChem
Acid pKa
13.207561
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0900962
LogD (pH = 7.4)
3.1504514
Log P
3.1512787
Molar Refractivity
76.8458
Polarizability
28.490034
Polar Surface Area
32.34
Rotatable Bonds
3
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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