Molecule

ID:125379

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆FN
Molecular Mass
181.2498432
Exact Mass
181.12667774
Charge
0
InChI
InChI=1S/C11H16FN/c1-3-13-9(2)7-10-5-4-6-11(12)8-10/h4-6,8-9,13H,3,7H2,1-2H3
InChIKey
CKPWHLGHHXSVJI-UHFFFAOYSA-N
Canonic Smiles
CCNC(Cc1cccc(c1)F)C
Isomeric Smiles
c1ccc(CC(C)NCC)cc1F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.49021265
LogD (pH = 7.4)
0.08263881
Log P
2.7363408
Molar Refractivity
53.4448
Polarizability
20.633284
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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