Molecule

ID:79671

General Information
Structure
Molecular Formula
C₇H₁₀
Molecular Mass
94.1543
Exact Mass
94.07825032
Charge
0
InChI
InChI=1S/C7H10/c1-4-2-6-5(1)7(6)3-4/h4-7H,1-3H2/t4?,5-,6-,7?/m1/s1
InChIKey
BYBGSCXPMGPLFP-RKXXOXFUSA-N
Canonic Smiles
C1[C@@H]2C[C@@H]3[C@H]1[C@@H]3C2
Isomeric Smiles
[C@H]12C[C@@H]3[C@H](C1)[C@@H]3C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.5543306
LogD (pH = 7.4)
1.5543306
Log P
1.5543306
Molar Refractivity
28.393
Polarizability
11.4454775
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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References
Bioactivity
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