Molecule

ID:58649

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉ClN₂O₂
Molecular Mass
294.77656
Exact Mass
294.11350554
Charge
0
InChI
InChI=1S/C15H19ClN2O2/c1-15(2,3)20-14(19)17-7-6-10-9-18-13-5-4-11(16)8-12(10)13/h4-5,8-9,18H,6-7H2,1-3H3,(H,17,19)
InChIKey
ZVGMIZAWOKOIFG-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCc1c[nH]c2c1cc(Cl)cc2
Isomeric Smiles
c1(ccc2c(c1)c(c[nH]2)CCNC(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
Acid pKa
14.847303
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.5825796
LogD (pH = 7.4)
3.5825796
Log P
3.5825796
Molar Refractivity
80.0507
Polarizability
32.17986
Polar Surface Area
54.12
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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