Molecule

ID:85605

General Information
Structure
Molecular Formula
C₄H₁₃ClN₂
Molecular Mass
124.61242
Exact Mass
124.07672611
Charge
0
InChI
InChI=1S/C4H12N2.ClH/c1-4(2,3)6-5;/h6H,5H2,1-3H3;1H
InChIKey
DDPWVABNMBRBFI-UHFFFAOYSA-N
Canonic Smiles
NNC(C)(C)C.Cl
Isomeric Smiles
N(C(C)(C)C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.4205638
LogD (pH = 7.4)
0.22706528
Log P
0.24384537
Molar Refractivity
38.7013
Polarizability
10.95869
Polar Surface Area
38.05
Rotatable Bonds
1
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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