Molecule

ID:20875

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-10-5-6-12(8-11(10)2)15-13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3
InChIKey
ZOAYYILFLICKSD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OC1CCCNC1
Isomeric Smiles
c1(cc(OC2CNCCC2)ccc1C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22702244
LogD (pH = 7.4)
0.8801084
Log P
2.9435785
Molar Refractivity
62.5392
Polarizability
24.557085
Polar Surface Area
21.26
Rotatable Bonds
2
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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