Molecule

ID:48822

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁ClN₂O
Molecular Mass
232.75024
Exact Mass
232.13424098
Charge
0
InChI
InChI=1S/C11H20N2O.ClH/c1-5-7-13(8-6-2)11(14)10(12)9(3)4;/h5-6,9-10H,1-2,7-8,12H2,3-4H3;1H
InChIKey
CCMHBOOIVVMKRT-UHFFFAOYSA-N
Canonic Smiles
C=CCN(C(=O)C(C(C)C)N)CC=C.Cl
Isomeric Smiles
C(=O)(C(N)C(C)C)N(CC=C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3072697
LogD (pH = 7.4)
0.2776551
Log P
1.4116931
Molar Refractivity
59.4339
Polarizability
23.250113
Polar Surface Area
46.33
Rotatable Bonds
6
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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