Molecule

ID:20857

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-10-7-11(2)12(3)14(8-10)16-13-5-4-6-15-9-13/h7-8,13,15H,4-6,9H2,1-3H3
InChIKey
NMIUPOLTNYMFEG-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(OC2CCCNC2)c(c(c1)C)C
Isomeric Smiles
c1(c(c(cc(c1)C)C)C)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.28611308
LogD (pH = 7.4)
1.3917806
Log P
3.4569998
Molar Refractivity
67.5804
Polarizability
26.324532
Polar Surface Area
21.26
Rotatable Bonds
2
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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