Molecule

ID:69918

General Information
Structure
Molecular Formula
C₇H₁₁ClN₂
Molecular Mass
158.62864
Exact Mass
158.06107604
Charge
0
InChI
InChI=1S/C7H10N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-5,9H,8H2,1H3;1H
InChIKey
SHTBTGXNVWYODU-UHFFFAOYSA-N
Canonic Smiles
NNc1cccc(c1)C.Cl
Isomeric Smiles
N(N)c1cc(ccc1)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6303076
LogD (pH = 7.4)
1.8741173
Log P
1.8783098
Molar Refractivity
40.8059
Polarizability
14.672173
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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