Molecule

ID:35671

General Information
Structure
Molecular Formula
C₁₄H₂₅N₃O₂
Molecular Mass
267.3672
Exact Mass
267.19467706
Charge
0
InChI
InChI=1S/C14H25N3O2/c1-3-5-9-17(10-6-4-2)11-12-7-8-13(19-12)14(18)16-15/h7-8H,3-6,9-11,15H2,1-2H3,(H,16,18)
InChIKey
YNEBEZZMSJZKPG-UHFFFAOYSA-N
Canonic Smiles
CCCCN(Cc1ccc(o1)C(=O)NN)CCCC
Isomeric Smiles
c1(C(=O)NN)oc(cc1)CN(CCCC)CCCC
Calculated Properties
JChem
Acid pKa
11.93648
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9959985
LogD (pH = 7.4)
0.67693186
Log P
2.096853
Molar Refractivity
78.1788
Polarizability
29.55597
Polar Surface Area
71.5
Rotatable Bonds
9
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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