Molecule

ID:15035

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O
Molecular Mass
180.24684
Exact Mass
180.12626314
Charge
0
InChI
InChI=1S/C10H16N2O/c1-10(2,3)13-9-8(7-11)5-4-6-12-9/h4-6H,7,11H2,1-3H3
InChIKey
YASWEPDVXCKCPE-UHFFFAOYSA-N
Canonic Smiles
NCc1cccnc1OC(C)(C)C
Isomeric Smiles
c1(c(cccn1)CN)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4043928
LogD (pH = 7.4)
0.12754035
Log P
1.3720877
Molar Refractivity
52.9568
Polarizability
20.841602
Polar Surface Area
48.14
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
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Molecule Details
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References
Bioactivity
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