Molecule

ID:13192

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)16-12-5-7-13(8-6-12)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)
InChIKey
MGNASFRGYKAMPD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)N1CCCCCC1
Isomeric Smiles
C1N(CCCCC1)c1ccc(cc1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
14.826639
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8049185
LogD (pH = 7.4)
3.1446521
Log P
3.1512787
Molar Refractivity
76.8458
Polarizability
28.488325
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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