Molecule

ID:19870

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-9-4-5-10(12)11(8-9)14-7-6-13(2)3/h4-5,8H,6-7,12H2,1-3H3
InChIKey
VKTVSYDVBNOYND-UHFFFAOYSA-N
Canonic Smiles
CN(CCOc1cc(C)ccc1N)C
Isomeric Smiles
c1(c(ccc(c1)C)N)OCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6394125
LogD (pH = 7.4)
0.08941011
Log P
1.5187145
Molar Refractivity
60.2819
Polarizability
22.809704
Polar Surface Area
38.49
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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