Molecule

ID:45299

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c12-7-10-3-1-5-13(8-10)9-11-4-2-6-14-11/h2,4,6,10H,1,3,5,7-9,12H2
InChIKey
NRNLTSHXEJITJL-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCN(C1)Cc1ccco1
Isomeric Smiles
N1(Cc2occc2)CC(CN)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.7034006
LogD (pH = 7.4)
-2.5308266
Log P
0.6882245
Molar Refractivity
57.0926
Polarizability
22.404966
Polar Surface Area
42.4
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
Bioactivity
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