Molecule

ID:30993

General Information
Structure
Molecular Formula
C₁₄H₂₂N₂O₂
Molecular Mass
250.33668
Exact Mass
250.16812795
Charge
0
InChI
InChI=1S/C14H22N2O2/c1-12-3-4-13(14(11-12)17-2)18-10-9-16-7-5-15-6-8-16/h3-4,11,15H,5-10H2,1-2H3
InChIKey
QFCDVXRNAHWCPY-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C)ccc1OCCN1CCNCC1
Isomeric Smiles
c1(c(ccc(c1)C)OCCN1CCNCC1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4892529
LogD (pH = 7.4)
-0.16791818
Log P
1.6540408
Molar Refractivity
72.8001
Polarizability
28.662722
Polar Surface Area
33.73
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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