Molecule

ID:20531

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-11-9-14(7-8-15(11)16)18-13-6-4-5-12(10-13)17(2)3/h4-10H,16H2,1-3H3
InChIKey
QWUVWFLFJBJTOH-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(c1)Oc1ccc(c(c1)C)N)C
Isomeric Smiles
c1c(N(C)C)cccc1Oc1cc(c(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2393227
LogD (pH = 7.4)
3.2657275
Log P
3.2660723
Molar Refractivity
76.469
Polarizability
28.4015
Polar Surface Area
38.49
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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