Molecule

ID:58733

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N
Molecular Mass
215.33394
Exact Mass
215.16739968
Charge
0
InChI
InChI=1S/C15H21N/c1-5-7-15(16,8-6-2)14-10-12(3)9-13(4)11-14/h5-6,9-11H,1-2,7-8,16H2,3-4H3
InChIKey
UFZWYHUVFAAUII-UHFFFAOYSA-N
Canonic Smiles
C=CCC(c1cc(C)cc(c1)C)(CC=C)N
Isomeric Smiles
c1(cc(cc(c1)C(N)(CC=C)CC=C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1295028
LogD (pH = 7.4)
1.6582218
Log P
4.1492147
Molar Refractivity
72.009
Polarizability
27.903467
Polar Surface Area
26.02
Rotatable Bonds
5
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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