Molecule

ID:48706

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇ClN₂O
Molecular Mass
180.67568
Exact Mass
180.10294085
Charge
0
InChI
InChI=1S/C7H16N2O.ClH/c1-3-4-5-9(2)7(10)6-8;/h3-6,8H2,1-2H3;1H
InChIKey
GSAKYTRNBOBSDB-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)CN)C.Cl
Isomeric Smiles
C(=O)(N(CCCC)C)CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.671324
LogD (pH = 7.4)
-0.98728126
Log P
-0.18316703
Molar Refractivity
41.4926
Polarizability
16.35698
Polar Surface Area
46.33
Rotatable Bonds
4
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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