Molecule

ID:17381

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c1-15-10-5-3-2-4-9(10)8-14-11(12)6-7-13-14/h2-7H,8,12H2,1H3
InChIKey
NDPAXNCKZIOPJZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Cn1nccc1N
Isomeric Smiles
c1(c(cccc1)OC)Cn1c(ccn1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2248831
LogD (pH = 7.4)
1.22823
Log P
1.2282728
Molar Refractivity
69.9909
Polarizability
22.140825
Polar Surface Area
53.07
Rotatable Bonds
3
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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