Molecule

ID:16653

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₂
Molecular Mass
252.35256
Exact Mass
252.18377802
Charge
0
InChI
InChI=1S/C14H24N2O2/c1-16(2)10-6-9-15-11-13(17)12-18-14-7-4-3-5-8-14/h3-5,7-8,13,15,17H,6,9-12H2,1-2H3
InChIKey
XELOOTAZVDARBY-UHFFFAOYSA-N
Canonic Smiles
OC(COc1ccccc1)CNCCCN(C)C
Isomeric Smiles
c1(OCC(CNCCCN(C)C)O)ccccc1
Calculated Properties
JChem
Acid pKa
14.08847
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.4124646
LogD (pH = 7.4)
-1.9838455
Log P
0.89944047
Molar Refractivity
74.0926
Polarizability
29.415491
Polar Surface Area
44.73
Rotatable Bonds
9
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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