Molecule

ID:123607

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O₂
Molecular Mass
244.71788
Exact Mass
244.09785547
Charge
0
InChI
InChI=1S/C11H16N2O2.ClH/c1-7(2)13-11(14)8-4-5-10(15-3)9(12)6-8;/h4-7H,12H2,1-3H3,(H,13,14);1H
InChIKey
IAQUZWUJYXTXNA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)NC(C)C.Cl
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)N)NC(C)C.Cl
Calculated Properties
JChem
Acid pKa
15.312796
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.83176774
LogD (pH = 7.4)
0.83431536
Log P
0.83434796
Molar Refractivity
60.3641
Polarizability
22.347376
Polar Surface Area
64.35
Rotatable Bonds
3
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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