Molecule

ID:65104

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₂
Molecular Mass
118.56478
Exact Mass
118.02977591
Charge
0
InChI
InChI=1S/C4H6N2.ClH/c5-3-4(6)1-2-4;/h1-2,6H2;1H
InChIKey
PCEIEQLJYDMRFZ-UHFFFAOYSA-N
Canonic Smiles
N#CC1(N)CC1.Cl
Isomeric Smiles
C1(CC1)(N)C#N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4551425
LogD (pH = 7.4)
-0.45004705
Log P
-0.395815
Molar Refractivity
22.2337
Polarizability
8.7398205
Polar Surface Area
49.81
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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