Molecule

ID:51433

General Information
Structure
MolImage
Molecular Formula
C₂₅H₂₄N₄
Molecular Mass
380.48486
Exact Mass
380.20009679
Charge
0
InChI
InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2
InChIKey
LNHGLSRCOBIHNV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Isomeric Smiles
C(c1ccc(cc1)N)(c1ccc(cc1)N)(c1ccc(cc1)N)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
3.5307474
LogD (pH = 7.4)
3.6030493
Log P
3.60401
Molar Refractivity
123.8105
Polarizability
45.49619
Polar Surface Area
104.08
Rotatable Bonds
4
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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