Molecule

ID:119137

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉ClN₂O₃
Molecular Mass
298.76526
Exact Mass
298.10842016
Charge
0
InChI
InChI=1S/C14H18N2O3.ClH/c17-13(6-7-14(18)19)16-9-2-1-5-12(16)11-4-3-8-15-10-11;/h3-4,8,10,12H,1-2,5-7,9H2,(H,18,19);1H/t12-;/m0./s1
InChIKey
GRPUBLQWYRZBIB-YDALLXLXSA-N
Canonic Smiles
OC(=O)CCC(=O)N1CCCC[C@H]1c1cccnc1.Cl
Isomeric Smiles
N1(C(=O)CCC(=O)O)[C@H](c2cnccc2)CCCC1.Cl
Calculated Properties
JChem
Acid pKa
4.0251474
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.7076211
LogD (pH = 7.4)
-2.3625948
Log P
-0.16094464
Molar Refractivity
69.4205
Polarizability
27.020222
Polar Surface Area
70.5
Rotatable Bonds
4
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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