Molecule
ID:122623
General Information
Molecular Formula
C₁₉H₂₉N₃
Molecular Mass
299.45366
Exact Mass
299.23614794
Charge
0
InChI
InChI=1S/C19H29N3/c1-13(2)14-5-7-15(8-6-14)16-21-9-18(3)10-22(16)12-19(4,11-21)17(18)20/h5-8,13,16-17H,9-12,20H2,1-4H3
InChIKey
SZLHPXCMDYPSPR-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)C1N2CC3(CN1CC(C2)(C3N)C)C)C
Isomeric Smiles
C12(C(C3(CN(C(N(C1)C3)c1ccc(cc1)C(C)C)C2)C)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.11520361
LogD (pH = 7.4)
0.8048185
Log P
3.1343143
Molar Refractivity
91.4754
Polarizability
36.629684
Polar Surface Area
32.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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