Molecule

ID:20897

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO
Molecular Mass
217.30676
Exact Mass
217.14666423
Charge
0
InChI
InChI=1S/C14H19NO/c1-3-11-6-7-13(9-12(11)4-1)16-14-5-2-8-15-10-14/h6-7,9,14-15H,1-5,8,10H2
InChIKey
AEHUQSSKSVUOQJ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)Oc1ccc2c(c1)CCC2
Isomeric Smiles
c12cc(OC3CNCCC3)ccc1CCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24579148
LogD (pH = 7.4)
0.8633169
Log P
2.9244213
Molar Refractivity
65.338
Polarizability
25.663584
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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