Molecule

ID:23968

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇ClN₂O₂
Molecular Mass
280.74998
Exact Mass
280.09785547
Charge
0
InChI
InChI=1S/C14H16N2O2.ClH/c1-3-14-15-6-7-16(14)9-12-8-11(10-17)4-5-13(12)18-2;/h4-8,10H,3,9H2,1-2H3;1H
InChIKey
OFRHTYRFNSXCLK-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1Cn1ccnc1CC)C=O.Cl
Isomeric Smiles
c1(c(ccc(c1)C=O)OC)Cn1c(ncc1)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1932024
LogD (pH = 7.4)
1.9958972
Log P
2.1813567
Molar Refractivity
70.6369
Polarizability
26.512274
Polar Surface Area
44.12
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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