Molecule

ID:51489

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₇ClN₂O₂
Molecular Mass
290.82938
Exact Mass
290.17610579
Charge
0
InChI
InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-11-5-4-6-14(16)7-9-15-10-8-14;/h15H,4-11H2,1-3H3;1H
InChIKey
CWLCIVYAURTITJ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC21CCNCC2)OC(C)(C)C.Cl
Isomeric Smiles
C(=O)(N1C2(CCNCC2)CCCC1)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7108353
LogD (pH = 7.4)
-1.0090922
Log P
1.5082077
Molar Refractivity
71.8765
Polarizability
28.48516
Polar Surface Area
41.57
Rotatable Bonds
2
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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