Molecule

ID:78652

General Information
Structure
Molecular Formula
C₁₄H₁₉ClN₂O₂
Molecular Mass
282.76586
Exact Mass
282.11350554
Charge
0
InChI
InChI=1S/C14H19ClN2O2/c1-2-3-4-5-11-6-8-12(9-7-11)14(16)17-19-13(18)10-15/h6-9H,2-5,10H2,1H3,(H2,16,17)
InChIKey
NKDFLMKLQAPLPL-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)/C(=N/OC(=O)CCl)/N
Isomeric Smiles
N(=C(\c1ccc(cc1)CCCCC)/N)/OC(=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.8421621
LogD (pH = 7.4)
3.8622038
Log P
3.8624654
Molar Refractivity
76.4301
Polarizability
29.43144
Polar Surface Area
64.68
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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