Molecule

ID:33441

General Information
Structure
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c12-8-10-13-11(15-14-10)7-6-9-4-2-1-3-5-9/h1-5H,6-8,12H2
InChIKey
VNCLCKWPTICPGP-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(n1)CCc1ccccc1
Isomeric Smiles
n1c(noc1CCc1ccccc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.12289019
LogD (pH = 7.4)
1.4916942
Log P
1.830503
Molar Refractivity
58.4218
Polarizability
21.922878
Polar Surface Area
64.94
Rotatable Bonds
4
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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