Chemical ID: 4724648

c1ccc(c(c1)C(=O)N2CC3CC3C2C(=O)O)F
Chemical ID:
4724648
Name [?]:
3-(2-fluorobenzoyl)-3-azabicyclo[3.1.0]hexane-4-carboxylic acid
SMILES [?]:
c1ccc(c(c1)C(=O)N2CC3CC3C2C(=O)O)F
InChi [?]:
InChI=1/C13H12FNO3/c14-10-4-2-1-3-8(10)12(16)15-6-7-5-9(7)11(15)13(17)18/h1-4,7,9,11H,5-6H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,10,11,5,13,4,14,7,15,18,9,8,16,17/E:(17,18)/rA:18cCCCCCCCONCCCCCCOOF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s11s12;s9s13;s14;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FNO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:5.06307
Area:393.353
Solvation:-4.77076
Coulombic:-46.5659
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.238
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.3

Name Annotations

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Descriptor Annotations

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