Molecule

ID:125844

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄
Molecular Mass
204.35106
Exact Mass
204.18780077
Charge
0
InChI
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3/t12-,13+,14+,15-/m1/s1
InChIKey
HMTAHNDPLDKYJT-CBBWQLFWSA-N
Canonic Smiles
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(=C)C
Isomeric Smiles
C1(=C[C@@H]2[C@H](C(=C)C)CC[C@@H](C)[C@@H]2CC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
4.51
LogD (pH = 5.5)
4.51
Log P
4.51
Rotatable Bonds
1
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
26.06
Molar Refractivity
67.53
LOG S
-5.26
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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