Molecule

ID:8551

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-3-14(4-2)10-7-5-9(6-8-10)11(15)13-12/h5-8H,3-4,12H2,1-2H3,(H,13,15)
InChIKey
PUNSOBLTEWFAMJ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)C(=O)NN)CC
Isomeric Smiles
C(=O)(c1ccc(N(CC)CC)cc1)NN
Calculated Properties
JChem
Acid pKa
15.151245
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3252944
LogD (pH = 7.4)
1.3487631
Log P
1.3490702
Molar Refractivity
63.5463
Polarizability
23.087317
Polar Surface Area
58.36
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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