Molecule

ID:62364

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₄O
Molecular Mass
270.32962
Exact Mass
270.14806122
Charge
0
InChI
InChI=1S/C15H18N4O/c1-11-4-2-6-14(17-11)19-15-7-3-5-12(18-15)13-10-16-8-9-20-13/h2-7,13,16H,8-10H2,1H3,(H,17,18,19)
InChIKey
CTUCHUWJFKYOQV-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(n1)Nc1cccc(n1)C1CNCCO1
Isomeric Smiles
n1c(Nc2nc(ccc2)C)cccc1C1OCCNC1
Calculated Properties
JChem
Acid pKa
13.627087
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.8555614
LogD (pH = 7.4)
1.336186
Log P
1.9313885
Molar Refractivity
76.9945
Polarizability
29.87694
Polar Surface Area
59.07
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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