Molecule

ID:126386

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅N₃O
Molecular Mass
263.3785
Exact Mass
263.19976244
Charge
0
InChI
InChI=1S/C15H25N3O/c1-3-4-5-6-15(18-19-10-9-16)13-8-7-12(2)14(17)11-13/h7-8,11H,3-6,9-10,16-17H2,1-2H3
InChIKey
ZIWQJHATUBOOFD-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C(=N\OCCN)/c1ccc(c(c1)N)C
Isomeric Smiles
O(/N=C(/c1cc(N)c(cc1)C)\CCCCC)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5102012
LogD (pH = 7.4)
0.9520807
Log P
2.8400874
Molar Refractivity
80.8861
Polarizability
30.906559
Polar Surface Area
73.63
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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