Molecule

ID:33481

General Information
Structure
Molecular Formula
C₁₄H₁₅N₃O₂
Molecular Mass
257.2878
Exact Mass
257.11642674
Charge
0
InChI
InChI=1S/C14H15N3O2/c18-10-11-3-5-12(6-4-11)14-15-13(19-16-14)9-17-7-1-2-8-17/h3-6,10H,1-2,7-9H2
InChIKey
SNDPWEKGMUCOJI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1noc(n1)CN1CCCC1
Isomeric Smiles
n1c(noc1CN1CCCC1)c1ccc(C=O)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.88261324
LogD (pH = 7.4)
2.2023225
Log P
2.3301814
Molar Refractivity
84.0799
Polarizability
27.614206
Polar Surface Area
59.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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