Molecule

ID:48900

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h6,8H,3-5H2,1-2H3;1H
InChIKey
LJPOVCMGNNCPFL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN1)N(C)C.Cl
Isomeric Smiles
C(=O)(N(C)C)C1NCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6637723
LogD (pH = 7.4)
-2.815787
Log P
-0.4567319
Molar Refractivity
39.6799
Polarizability
15.631624
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
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Molecule Details
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References
Bioactivity
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