Molecule

ID:79546

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClN₂
Molecular Mass
120.58066
Exact Mass
120.04542598
Charge
0
InChI
InChI=1S/C4H8N2.ClH/c1-4-2-3-5-6-4;/h5H,2-3H2,1H3;1H
InChIKey
IETCRQZRJAJILX-UHFFFAOYSA-N
Canonic Smiles
CC1=NNCC1.Cl
Isomeric Smiles
N1=C(CCN1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.062497474
LogD (pH = 7.4)
-0.016140757
Log P
-0.015516547
Molar Refractivity
35.2038
Polarizability
9.52133
Polar Surface Area
24.39
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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