Molecule

ID:61577

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₃O₂
Molecular Mass
227.30334
Exact Mass
227.16337693
Charge
0
InChI
InChI=1S/C11H21N3O2/c1-9-7-13(8-10(2)16-9)5-6-14-4-3-12-11(14)15/h9-10H,3-8H2,1-2H3,(H,12,15)/t9-,10+
InChIKey
LXYMRHYTKMAIJA-AOOOYVTPSA-N
Canonic Smiles
C[C@@H]1O[C@H](C)CN(C1)CCN1CCNC1=O
Isomeric Smiles
C1(=O)N(CCN2C[C@H](O[C@H](C2)C)C)CCN1
Calculated Properties
JChem
Acid pKa
14.282199
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7890596
LogD (pH = 7.4)
-0.39160037
Log P
-0.23103648
Molar Refractivity
61.7949
Polarizability
24.117409
Polar Surface Area
44.81
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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