Molecule

ID:44831

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈N₄
Molecular Mass
288.43102
Exact Mass
288.23139692
Charge
0
InChI
InChI=1S/C17H28N4/c1-14-5-7-21(8-6-14)17-13-15(3-4-16(17)18)20-11-9-19(2)10-12-20/h3-4,13-14H,5-12,18H2,1-2H3
InChIKey
NSRZBHINVOJEPU-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)c1cc(ccc1N)N1CCN(CC1)C
Isomeric Smiles
c1(cc(N2CCN(CC2)C)ccc1N)N1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4431198
LogD (pH = 7.4)
1.5904827
Log P
2.3449123
Molar Refractivity
92.3563
Polarizability
34.086933
Polar Surface Area
35.74
Rotatable Bonds
2
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
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References
Bioactivity
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