Molecule
ID:123783
General Information
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-14(2)7-6-13-11(15)9-4-3-5-10(12)8-9/h3-5,8H,6-7,12H2,1-2H3,(H,13,15)
InChIKey
FWOIEFHUAJBDBB-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC(=O)c1cccc(c1)N)C
Isomeric Smiles
C(=O)(c1cc(N)ccc1)NCCN(C)C
Calculated Properties
JChem
Acid pKa
15.132244
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6533718
LogD (pH = 7.4)
-0.901958
Log P
0.23728074
Molar Refractivity
62.7526
Polarizability
23.190937
Polar Surface Area
58.36
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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