Molecule

ID:29239

General Information
Structure
Molecular Formula
C₁₀H₁₄ClN
Molecular Mass
183.67786
Exact Mass
183.08147713
Charge
0
InChI
InChI=1S/C10H14ClN/c1-2-12-8-7-9-3-5-10(11)6-4-9/h3-6,12H,2,7-8H2,1H3
InChIKey
QUVTTYBFMDDFBM-UHFFFAOYSA-N
Canonic Smiles
CCNCCc1ccc(cc1)Cl
Isomeric Smiles
c1(Cl)ccc(cc1)CCNCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.4447472
LogD (pH = 7.4)
0.14194238
Log P
2.7811084
Molar Refractivity
53.6144
Polarizability
21.005575
Polar Surface Area
12.03
Rotatable Bonds
4
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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