Molecule

ID:77005

General Information
Structure
Molecular Formula
C₁₅H₂₃N₃
Molecular Mass
245.36322
Exact Mass
245.18919775
Charge
0
InChI
InChI=1S/C15H23N3/c16-13-5-7-15(8-6-13)18-11-9-17(10-12-18)14-3-1-2-4-14/h5-8,14H,1-4,9-12,16H2
InChIKey
YMVUWEKIXPWCKX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C1CCCC1
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(C2CCCC2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0665365
LogD (pH = 7.4)
0.8202282
Log P
2.4541852
Molar Refractivity
77.6503
Polarizability
29.27076
Polar Surface Area
32.5
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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