Molecule

ID:13344

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄N₂O₂
Molecular Mass
264.36326
Exact Mass
264.18377802
Charge
0
InChI
InChI=1S/C15H24N2O2/c1-18-15-5-2-4-14(12-15)13-16-6-3-7-17-8-10-19-11-9-17/h2,4-5,12,16H,3,6-11,13H2,1H3
InChIKey
MJDPYPBTAKZGRD-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CNCCCN1CCOCC1
Isomeric Smiles
c1cc(cc(c1)CNCCCN1CCOCC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.651845
LogD (pH = 7.4)
-1.0515224
Log P
1.2340271
Molar Refractivity
77.7282
Polarizability
30.595566
Polar Surface Area
33.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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