Molecule

ID:14456

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO
Molecular Mass
205.29606
Exact Mass
205.14666423
Charge
0
InChI
InChI=1S/C13H19NO/c1-11-4-2-5-12(8-11)9-14-10-13-6-3-7-15-13/h2,4-5,8,13-14H,3,6-7,9-10H2,1H3
InChIKey
PPDHTNFZZGECOU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CNCC1CCCO1
Isomeric Smiles
c1(cc(ccc1)C)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6758719
LogD (pH = 7.4)
0.5621178
Log P
2.4636052
Molar Refractivity
62.6019
Polarizability
24.650164
Polar Surface Area
21.26
Rotatable Bonds
4
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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