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8-fluoro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

8-fluoro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

CAS: 354816-24-3

Formula: C13H12FNO2

SMILES: OC(=O)C1NC2=C(C=C(F)C=C2)C2C=CCC12

IUPAC: 8-fluoro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

InChI: InChI=1/C13H12FNO2/c14-7-4-5-11-10(6-7)8-2-1-3-9(8)12(15-11)13(16)17/h1-2,4-6,8-9,12,15H,3H2,(H,16,17)

Composition: C (66.94%), H (5.19%), F (8.15%), N (6.01%), O (13.72%)

Molar Mass: 233.242

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 3
Exact Mass 233.085206793
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey MYWYIHKEXNJAGX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.14
Topological Polar Surface Area 49.33
Polarizability 22.87
Ring Count 3
Rotatable Bond Count 1

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