Molecule

ID:37812

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁ClN₂O
Molecular Mass
268.78234
Exact Mass
268.13424098
Charge
0
InChI
InChI=1S/C14H20N2O.ClH/c1-14(7-9-15-10-8-14)13(17)16-11-12-5-3-2-4-6-12;/h2-6,15H,7-11H2,1H3,(H,16,17);1H
InChIKey
RYLBMHFKDUQWPF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)CCNCC1)NCc1ccccc1.Cl
Isomeric Smiles
C1CNCCC1(C)C(=O)NCc1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
15.865731
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.647465
LogD (pH = 7.4)
-1.0428728
Log P
1.577453
Molar Refractivity
68.9078
Polarizability
27.072151
Polar Surface Area
41.13
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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