Molecule

ID:24949

General Information
Structure
Molecular Formula
C₁₉H₂₇N
Molecular Mass
269.42438
Exact Mass
269.21434987
Charge
0
InChI
InChI=1S/C19H27N/c1-13-3-4-17(5-14(13)2)19-9-15-6-16(10-19)8-18(7-15,11-19)12-20/h3-5,15-16H,6-12,20H2,1-2H3
InChIKey
HDLFKUFFYZVAIX-UHFFFAOYSA-N
Canonic Smiles
NCC12CC3CC(C1)CC(C2)(C3)c1ccc(c(c1)C)C
Isomeric Smiles
C12(c3cc(c(cc3)C)C)CC3(CC(C1)CC(C2)C3)CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2461263
LogD (pH = 7.4)
1.868846
Log P
4.2611246
Molar Refractivity
84.7558
Polarizability
33.43686
Polar Surface Area
26.02
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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