Molecule

ID:29085

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-3-6-12-9-5-4-8(2)10(11)7-9/h4-5,7,12H,3,6H2,1-2H3
InChIKey
JOJSLNVLFPWDCE-UHFFFAOYSA-N
Canonic Smiles
CCCNc1ccc(c(c1)Cl)C
Isomeric Smiles
c1(cc(NCCC)ccc1C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3210707
LogD (pH = 7.4)
3.4410532
Log P
3.4428203
Molar Refractivity
55.3704
Polarizability
20.617617
Polar Surface Area
12.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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