Molecule

ID:31552

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13(2)6-7-14-11-5-3-4-10(8-11)9-12/h3-5,8H,6-7,9,12H2,1-2H3
InChIKey
CJJHPYWTHROFEE-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)OCCN(C)C
Isomeric Smiles
N(CCOc1cc(CN)ccc1)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.086754
LogD (pH = 7.4)
-2.4065304
Log P
0.9599875
Molar Refractivity
59.0137
Polarizability
23.279942
Polar Surface Area
38.49
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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