Molecule

ID:69920

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈N₄
Molecular Mass
290.36232
Exact Mass
290.1531466
Charge
0
InChI
InChI=1S/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChIKey
SNLFYGIUTYKKOE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N(c1ccc(cc1)N)c1ccc(cc1)N
Isomeric Smiles
N(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
2.6085389
LogD (pH = 7.4)
2.8051603
Log P
2.8080282
Molar Refractivity
93.3197
Polarizability
34.098217
Polar Surface Area
81.3
Rotatable Bonds
3
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
No Data Available
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Molecule Details
References
Bioactivity
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