Molecule

ID:135734

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-14(2)9-8-12-11(15)13-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H2,12,13,15)
InChIKey
ZXMKJJBVCQPHGU-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC(=O)Nc1ccccc1)C
Isomeric Smiles
CN(C)CCNC(=O)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
13.582045
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.766894
LogD (pH = 7.4)
-0.018062396
Log P
1.1197312
Molar Refractivity
62.5135
Polarizability
23.392866
Polar Surface Area
44.37
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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