Molecule

ID:84739

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-3-13(8-5-9-14-13)11-6-4-7-12(10-11)15-2/h4,6-7,10,14H,3,5,8-9H2,1-2H3
InChIKey
QVMWXRFZJTVMSE-UHFFFAOYSA-N
Canonic Smiles
CCC1(CCCN1)c1cccc(c1)OC
Isomeric Smiles
N1C(c2cc(ccc2)OC)(CC)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5951744
LogD (pH = 7.4)
-0.34836337
Log P
2.642587
Molar Refractivity
62.1426
Polarizability
24.711536
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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