Molecule

ID:129943

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₄
Molecular Mass
284.39926
Exact Mass
284.20009679
Charge
0
InChI
InChI=1S/C17H24N4/c1-14-4-3-5-17(12-14)21-10-8-20(9-11-21)7-6-16-13-15(2)18-19-16/h3-5,12-13H,6-11H2,1-2H3,(H,18,19)
InChIKey
IYBFBADVQPQHLQ-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)N1CCN(CC1)CCc1n[nH]c(c1)C
Isomeric Smiles
n1c(cc([nH]1)C)CCN1CCN(c2cc(ccc2)C)CC1
Calculated Properties
JChem
Acid pKa
15.240218
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.67150563
LogD (pH = 7.4)
2.4116828
Log P
2.9885337
Molar Refractivity
89.2048
Polarizability
33.177593
Polar Surface Area
35.16
Rotatable Bonds
4
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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