Molecule

ID:33293

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O
Molecular Mass
243.30428
Exact Mass
243.13716218
Charge
0
InChI
InChI=1S/C14H17N3O/c1-2-12(14(18)17-15)16-13-9-5-7-10-6-3-4-8-11(10)13/h3-9,12,16H,2,15H2,1H3,(H,17,18)
InChIKey
HDEMHSNWVYEFSC-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NN)Nc1cccc2c1cccc2
Isomeric Smiles
C(=O)(C(Nc1c2c(ccc1)cccc2)CC)NN
Calculated Properties
JChem
Acid pKa
13.083171
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.9002632
LogD (pH = 7.4)
1.9013377
Log P
1.9013523
Molar Refractivity
74.1108
Polarizability
29.005644
Polar Surface Area
67.15
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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