Molecule

ID:131182

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN
Molecular Mass
279.84804
Exact Mass
279.17537752
Charge
0
InChI
InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H
InChIKey
BUAJNGPDPGKBGV-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)(N1CCCCC1)c1ccccc1.Cl
Isomeric Smiles
c1ccc(cc1)C1(CCCCC1)N1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.996464
LogD (pH = 7.4)
1.4359076
Log P
4.488048
Molar Refractivity
77.6465
Polarizability
30.727394
Polar Surface Area
3.24
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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