Molecule

ID:86459

General Information
Structure
Molecular Formula
C₁₄H₁₉ClN₂O₃
Molecular Mass
298.76526
Exact Mass
298.10842016
Charge
0
InChI
InChI=1S/C14H19ClN2O3/c1-14(2,3)10-4-6-11(7-5-10)19-9-12(16)17-20-13(18)8-15/h4-7H,8-9H2,1-3H3,(H2,16,17)
InChIKey
OHCPHSOLBBOKPN-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)O/N=C(/COc1ccc(cc1)C(C)(C)C)\N
Isomeric Smiles
N(=C(\COc1ccc(cc1)C(C)(C)C)/N)/OC(=O)CCl
Calculated Properties
JChem
Acid pKa
18.61334
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7784932
LogD (pH = 7.4)
2.778554
Log P
2.7785547
Molar Refractivity
76.9424
Polarizability
30.15127
Polar Surface Area
73.91
Rotatable Bonds
7
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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