Molecule

ID:73238

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅ClN₂O₂
Molecular Mass
300.8242
Exact Mass
300.16045573
Charge
0
InChI
InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H
InChIKey
PPWHTZKZQNXVAE-UHFFFAOYSA-N
Canonic Smiles
CCCCNc1ccc(cc1)C(=O)OCCN(C)C.Cl
Isomeric Smiles
c1c(ccc(c1)C(=O)OCCN(C)C)NCCCC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.029487526
LogD (pH = 7.4)
1.7360393
Log P
2.7920444
Molar Refractivity
80.1698
Polarizability
30.304665
Polar Surface Area
41.57
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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