Molecule

ID:17012

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂O
Molecular Mass
194.27342
Exact Mass
194.14191321
Charge
0
InChI
InChI=1S/C11H18N2O/c1-13(2)11(8-12)9-4-6-10(14-3)7-5-9/h4-7,11H,8,12H2,1-3H3
InChIKey
DIFDGMFDUHMXCH-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)OC)N(C)C
Isomeric Smiles
c1(C(N(C)C)CN)ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.994111
LogD (pH = 7.4)
-0.7824175
Log P
1.0197545
Molar Refractivity
58.6839
Polarizability
23.27941
Polar Surface Area
38.49
Rotatable Bonds
4
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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