Molecule

ID:48729

General Information
Structure
Molecular Formula
C₇H₁₇ClN₂O
Molecular Mass
180.67568
Exact Mass
180.10294085
Charge
0
InChI
InChI=1S/C7H16N2O.ClH/c1-4-9(5-2)7(10)6(3)8;/h6H,4-5,8H2,1-3H3;1H
InChIKey
KRKCYESHILXJAQ-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(N)C)CC.Cl
Isomeric Smiles
C(=O)(N(CC)CC)C(N)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.874829
LogD (pH = 7.4)
-1.2452663
Log P
-0.22468589
Molar Refractivity
41.6101
Polarizability
16.35698
Polar Surface Area
46.33
Rotatable Bonds
3
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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