Molecule

ID:98403

General Information
Structure
Molecular Formula
C₁₁H₁₆ClFN₂
Molecular Mass
230.7095432
Exact Mass
230.09860442
Charge
0
InChI
InChI=1S/C11H15FN2.ClH/c12-10-3-1-4-11(9-10)14-7-2-5-13-6-8-14;/h1,3-4,9,13H,2,5-8H2;1H
InChIKey
QFTMSGGXZHVBMR-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)N1CCNCCC1.Cl
Isomeric Smiles
N1(c2cc(ccc2)F)CCCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4448338
LogD (pH = 7.4)
-0.4740182
Log P
1.748023
Molar Refractivity
56.3238
Polarizability
21.122606
Polar Surface Area
15.27
Rotatable Bonds
1
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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