Molecule

ID:60188

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₁N
Molecular Mass
261.44544
Exact Mass
261.24565
Charge
0
InChI
InChI=1S/C18H31N/c1-16(2,3)12-10-13(17(4,5)6)15(19)14(11-12)18(7,8)9/h10-11H,19H2,1-9H3
InChIKey
REJGDSCBQPJPQT-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
Isomeric Smiles
c1c(c(c(cc1C(C)(C)C)C(C)(C)C)N)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.7646427
LogD (pH = 7.4)
5.779299
Log P
5.7794886
Molar Refractivity
86.7561
Polarizability
33.40911
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
false
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
References
Bioactivity
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