Molecule

ID:33303

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃O
Molecular Mass
241.2884
Exact Mass
241.12151212
Charge
0
InChI
InChI=1S/C14H15N3O/c15-17-14(18)12-6-8-13(9-7-12)16-10-11-4-2-1-3-5-11/h1-9,16H,10,15H2,(H,17,18)
InChIKey
UXWMYMBEWDSDQN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)NCc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(NCc2ccccc2)cc1)NN
Calculated Properties
JChem
Acid pKa
15.171686
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.7228054
LogD (pH = 7.4)
1.7246382
Log P
1.7246617
Molar Refractivity
74.4269
Polarizability
27.16013
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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