Molecule

ID:125703

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆N₄O
Molecular Mass
302.41454
Exact Mass
302.21066147
Charge
0
InChI
InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)
InChIKey
QVSXOXCYXPQXMF-UHFFFAOYSA-N
Canonic Smiles
C(NCC1CCc2c(O1)cccc2)CCNC1=NCCCN1
Isomeric Smiles
C1CNC(=NC1)NCCCNCC1CCc2ccccc2O1
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-4.188702
LogD (pH = 7.4)
-2.8031428
Log P
1.3143208
Molar Refractivity
88.509
Polarizability
34.25269
Polar Surface Area
57.68
Rotatable Bonds
6
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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