Molecule

ID:92207

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O
Molecular Mass
218.29482
Exact Mass
218.14191321
Charge
0
InChI
InChI=1S/C13H18N2O/c1-14-7-2-8-15(10-9-14)13-5-3-12(11-16)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKey
MRMHNZCHZCRCAV-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)N1CCCN(CC1)C
Isomeric Smiles
N1(c2ccc(cc2)C=O)CCCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.8361561
LogD (pH = 7.4)
0.93444264
Log P
1.7008713
Molar Refractivity
67.9861
Polarizability
25.212572
Polar Surface Area
23.55
Rotatable Bonds
2
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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