Molecule

ID:74552

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O
Molecular Mass
245.32016
Exact Mass
245.15281224
Charge
0
InChI
InChI=1S/C14H19N3O/c1-2-8-15-14(18)16-9-7-11-10-17-13-6-4-3-5-12(11)13/h3-6,10,17H,2,7-9H2,1H3,(H2,15,16,18)
InChIKey
WTIASEFLGMEIDF-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNC(=O)NCCC
Calculated Properties
JChem
Acid pKa
15.447051
H Acceptors
1
H Donor
3
LogD (pH = 5.5)
2.074745
LogD (pH = 7.4)
2.074745
Log P
2.074745
Molar Refractivity
72.6627
Polarizability
28.94245
Polar Surface Area
56.92
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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