Molecule

ID:128119

General Information
Structure
MolImage
Molecular Formula
C₃₀H₃₄N₄O
Molecular Mass
466.61716
Exact Mass
466.27326173
Charge
0
InChI
InChI=1S/C30H34N4O/c31-23-25-14-16-26(17-15-25)24-32-30(35)13-5-2-8-18-33-19-21-34(22-20-33)29-12-7-6-11-28(29)27-9-3-1-4-10-27/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-22,24H2,(H,32,35)
InChIKey
BQEDZLDNNBDKDS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
Isomeric Smiles
N#Cc1ccc(cc1)CNC(=O)CCCCCN1CCN(CC1)c1ccccc1c1ccccc1
Calculated Properties
JChem
Acid pKa
14.812116
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.4352627
LogD (pH = 7.4)
4.1384244
Log P
5.465732
Molar Refractivity
143.467
Polarizability
56.186947
Polar Surface Area
59.37
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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