Molecule

ID:48728

General Information
Structure
Molecular Formula
C₇H₁₅ClN₂O
Molecular Mass
178.6598
Exact Mass
178.08729079
Charge
0
InChI
InChI=1S/C7H14N2O.ClH/c1-6(8)7(10)9-4-2-3-5-9;/h6H,2-5,8H2,1H3;1H
InChIKey
VVNNTHQEKBSDAG-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)N1CCCC1)N.Cl
Isomeric Smiles
C(=O)(N1CCCC1)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1826413
LogD (pH = 7.4)
-1.5530754
Log P
-0.5325043
Molar Refractivity
39.6539
Polarizability
15.631624
Polar Surface Area
46.33
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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