Molecule

ID:62370

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O
Molecular Mass
206.71296
Exact Mass
206.11859092
Charge
0
InChI
InChI=1S/C9H18N2O.ClH/c1-9(8(12)11(2)3)4-6-10-7-5-9;/h10H,4-7H2,1-3H3;1H
InChIKey
FPRXZIMGPOORTJ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1(C)CCNCC1)C.Cl
Isomeric Smiles
C(=O)(C1(CCNCC1)C)N(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1482623
LogD (pH = 7.4)
-2.5436614
Log P
0.07665599
Molar Refractivity
49.1919
Polarizability
19.311396
Polar Surface Area
32.34
Rotatable Bonds
1
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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