Molecule

ID:16675

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-2-8-14(9-4-3-5-10-14)15-12-13-7-6-11-16-13/h2,6-7,11,15H,1,3-5,8-10,12H2
InChIKey
NVTFIRHTMPPACV-UHFFFAOYSA-N
Canonic Smiles
C=CCC1(CCCCC1)NCc1ccco1
Isomeric Smiles
C1(NCc2ccco2)(CCCCC1)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.26902217
LogD (pH = 7.4)
1.6935866
Log P
3.3347917
Molar Refractivity
66.5184
Polarizability
26.177444
Polar Surface Area
25.17
Rotatable Bonds
5
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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