Molecule

ID:43851

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₂O₂
Molecular Mass
244.71788
Exact Mass
244.09785547
Charge
0
InChI
InChI=1S/C11H16N2O2.ClH/c1-13(2)9-8-12-11(14)15-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3,(H,12,14);1H
InChIKey
YGVMJRXDZRGTSW-UHFFFAOYSA-N
Canonic Smiles
CN(CCNC(=O)Oc1ccccc1)C.Cl
Isomeric Smiles
C(=O)(Oc1ccccc1)NCCN(C)C.Cl
Calculated Properties
JChem
Acid pKa
14.641061
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3961743
LogD (pH = 7.4)
0.35291484
Log P
1.4892819
Molar Refractivity
58.7829
Polarizability
22.939474
Polar Surface Area
41.57
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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