Molecule

ID:17995

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O
Molecular Mass
262.39044
Exact Mass
262.20451346
Charge
0
InChI
InChI=1S/C16H26N2O/c1-13(2)15-5-4-14(3)12-16(15)19-11-10-18-8-6-17-7-9-18/h4-5,12-13,17H,6-11H2,1-3H3
InChIKey
KYELMCNJUSZMMA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)OCCN1CCNCC1)C(C)C
Isomeric Smiles
c1(c(ccc(c1)C)C(C)C)OCCN1CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.11033523
LogD (pH = 7.4)
1.2186376
Log P
3.0567212
Molar Refractivity
80.5277
Polarizability
31.616219
Polar Surface Area
24.5
Rotatable Bonds
5
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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