Molecule

ID:48682

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₂
Molecular Mass
210.7032
Exact Mass
210.09237617
Charge
0
InChI
InChI=1S/C11H15ClN2/c1-9-5-2-3-8-14(9)11-7-4-6-10(12)13-11/h4,6-7,9H,2-3,5,8H2,1H3
InChIKey
IIEMRHLFUYUCIO-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCN1c1cccc(n1)Cl
Isomeric Smiles
c1(nc(Cl)ccc1)N1C(C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5488198
LogD (pH = 7.4)
3.5492325
Log P
3.5492377
Molar Refractivity
61.0701
Polarizability
22.816032
Polar Surface Area
16.13
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
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Molecule Details
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References
Bioactivity
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