Molecule

ID:123717

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂O₂
Molecular Mass
278.7341
Exact Mass
278.08220541
Charge
0
InChI
InChI=1S/C14H15ClN2O2/c1-4-19-14(18)10-8-16-12-9(13(10)17(2)3)6-5-7-11(12)15/h5-8H,4H2,1-3H3
InChIKey
TYRVDQNVAONGSD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1N(C)C)cccc2Cl
Isomeric Smiles
c1(c(c2c(nc1)c(Cl)ccc2)N(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0969195
LogD (pH = 7.4)
3.2017395
Log P
3.203274
Molar Refractivity
75.9866
Polarizability
29.910149
Polar Surface Area
42.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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