Molecule

ID:116453

General Information
Structure
Molecular Formula
C₁₁H₁₈N₂O₂
Molecular Mass
210.27282
Exact Mass
210.13682783
Charge
0
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)12-6-9-13-7-4-5-8-13/h4-5,7-8H,6,9H2,1-3H3,(H,12,14)
InChIKey
KWGROYBBFCGZMV-UHFFFAOYSA-N
Canonic Smiles
O=C(OC(C)(C)C)NCCn1cccc1
Isomeric Smiles
C(=O)(OC(C)(C)C)NCCn1cccc1
Calculated Properties
JChem
Acid pKa
15.267903
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9719195
LogD (pH = 7.4)
1.9719195
Log P
1.9719195
Molar Refractivity
58.5363
Polarizability
22.830183
Polar Surface Area
43.26
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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