Molecule

ID:43715

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O
Molecular Mass
245.32016
Exact Mass
245.15281224
Charge
0
InChI
InChI=1S/C14H19N3O/c18-13-10-14(16-15-13)6-8-17(9-7-14)11-12-4-2-1-3-5-12/h1-5,16H,6-11H2,(H,15,18)
InChIKey
GAWGGDNMPCOVJM-UHFFFAOYSA-N
Canonic Smiles
O=C1NNC2(C1)CCN(CC2)Cc1ccccc1
Isomeric Smiles
N1NC2(CC1=O)CCN(Cc1ccccc1)CC2
Calculated Properties
JChem
Acid pKa
11.455614
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6620345
LogD (pH = 7.4)
-1.0437486
Log P
0.51030177
Molar Refractivity
81.3711
Polarizability
27.762707
Polar Surface Area
44.37
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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