Molecule

ID:76971

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-15-12-7-3-2-6-11(12)13(10-14)8-4-5-9-13/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKey
SDHQESURORPKBB-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)c1ccccc1OC
Isomeric Smiles
NCC1(c2ccccc2OC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.58005637
LogD (pH = 7.4)
0.42797205
Log P
2.3983893
Molar Refractivity
62.0191
Polarizability
24.634838
Polar Surface Area
35.25
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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