Molecule

ID:21047

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO
Molecular Mass
219.32264
Exact Mass
219.1623143
Charge
0
InChI
InChI=1S/C14H21NO/c1-10(2)12-5-4-11(3)14(8-12)16-13-6-7-15-9-13/h4-5,8,10,13,15H,6-7,9H2,1-3H3
InChIKey
QIELTUOXKSCGLK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1OC1CNCC1)C(C)C
Isomeric Smiles
c1(cc(ccc1C)C(C)C)OC1CCNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.07302073
LogD (pH = 7.4)
0.4032288
Log P
3.1578035
Molar Refractivity
67.0442
Polarizability
26.402563
Polar Surface Area
21.26
Rotatable Bonds
3
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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