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Chemical ID: 4692980
Chemical ID:
4692980
Name [?]:
2-[(3-fluorophenyl)methyl]-2-azabicyclo[5.4.0]undeca-8,10,12-trien-3-one
SMILES [?]:
c1ccc2c(c1)CCCC(=O)N2Cc3cccc(c3)F
InChi [?]:
InChI=1/C17H16FNO/c18-15-8-3-5-13(11-15)12-19-16-9-2-1-6-14(16)7-4-10-17(19)20/h1-3,5-6,8-9,11H,4,7,10,12H2
InChi Info:
AuxInfo=1/0/N:1,2,16,8,15,6,7,17,3,9,19,13,14,5,18,4,10,20,12,11/rA:20nCCCCCCCCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s4s10;s12;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16FNO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03597 |
Area: | 427.193 |
Solvation: | -2.64386 |
Coulombic: | -21.3512 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 269.313 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.32 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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