Molecule

ID:45350

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₂
Molecular Mass
264.36326
Exact Mass
264.18377802
Charge
0
InChI
InChI=1S/C15H24N2O2/c1-2-19-15-6-4-3-5-13(15)12-17-9-8-16-11-14(17)7-10-18/h3-6,14,16,18H,2,7-12H2,1H3
InChIKey
YEGMTPFFDQKLQF-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccccc1OCC
Isomeric Smiles
N1(Cc2c(OCC)cccc2)C(CCO)CNCC1
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.1118813
LogD (pH = 7.4)
-0.6707623
Log P
1.0074757
Molar Refractivity
77.3958
Polarizability
30.521875
Polar Surface Area
44.73
Rotatable Bonds
6
Lipinski's Rule of Five
true
Provided by Chembridge
H Acceptors
4
H Donor
2
Log P
1.29
LOG S
-1.22
Polar Surface Area
44.73
Rotatable Bonds
6
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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