Molecule
ID:124984
General Information
Molecular Formula
C₁₀H₁₁ClN₂
Molecular Mass
194.66074
Exact Mass
194.06107604
Charge
0
InChI
InChI=1S/C10H11ClN2/c11-9-2-1-8-3-5-13(6-4-12)10(8)7-9/h1-3,5,7H,4,6,12H2
InChIKey
UUGVQTXCDLSIOQ-UHFFFAOYSA-N
Canonic Smiles
NCCn1ccc2c1cc(Cl)cc2
Isomeric Smiles
n1(c2c(cc1)ccc(c2)Cl)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.9008877
LogD (pH = 7.4)
-0.11401989
Log P
2.1027448
Molar Refractivity
54.7958
Polarizability
22.544506
Polar Surface Area
30.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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