Molecule

ID:45264

General Information
Structure
Molecular Formula
C₈H₁₅ClN₂O
Molecular Mass
190.6705
Exact Mass
190.08729079
Charge
0
InChI
InChI=1S/C8H14N2O.ClH/c11-8(7-1-2-7)10-5-3-9-4-6-10;/h7,9H,1-6H2;1H
InChIKey
WIHDAPMHNYYTOA-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)N1CCNCC1.Cl
Isomeric Smiles
C(=O)(C1CC1)N1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6139505
LogD (pH = 7.4)
-0.8998991
Log P
-0.33906832
Molar Refractivity
42.4139
Polarizability
16.74643
Polar Surface Area
32.34
Rotatable Bonds
1
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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