Molecule

ID:29470

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-4-14-12-6-5-7-13(10-12)15-9-8-11(2)3/h5-7,10-11,14H,4,8-9H2,1-3H3
InChIKey
GUWJLABPDDVANV-UHFFFAOYSA-N
Canonic Smiles
CCNc1cccc(c1)OCCC(C)C
Isomeric Smiles
c1c(NCC)cccc1OCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2176874
LogD (pH = 7.4)
3.2555735
Log P
3.2560787
Molar Refractivity
65.8858
Polarizability
25.05612
Polar Surface Area
21.26
Rotatable Bonds
6
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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