Molecule

ID:72298

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O₂
Molecular Mass
280.74998
Exact Mass
280.09785547
Charge
0
InChI
InChI=1S/C14H17ClN2O2/c15-10-13(18)16-12-6-4-11(5-7-12)14(19)17-8-2-1-3-9-17/h4-7H,1-3,8-10H2,(H,16,18)
InChIKey
FDFMSUXZLSYSOK-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccc(cc1)C(=O)N1CCCCC1
Isomeric Smiles
c1c(ccc(c1)C(=O)N1CCCCC1)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
12.959258
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8966573
LogD (pH = 7.4)
1.8966573
Log P
1.8966585
Molar Refractivity
76.688
Polarizability
28.374083
Polar Surface Area
49.41
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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