Molecule

ID:88701

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃
Molecular Mass
245.36322
Exact Mass
245.18919775
Charge
0
InChI
InChI=1S/C15H23N3/c1-2-4-14(5-3-1)17-10-6-15(7-11-17)18-12-8-16-9-13-18/h1-5,15-16H,6-13H2
InChIKey
LJGYWQOIKLPHKQ-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)C1CCN(CC1)c1ccccc1
Isomeric Smiles
N1(c2ccccc2)CCC(N2CCNCC2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9122437
LogD (pH = 7.4)
-0.54380226
Log P
1.5721674
Molar Refractivity
76.6931
Polarizability
29.671019
Polar Surface Area
18.51
Rotatable Bonds
2
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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