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Chemical ID: 6737460
Chemical ID:
6737460
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1N2C(=O)C3C4CC(C3C2=O)C=C4)F
InChi [?]:
InChI=1/C16H14FNO2/c1-8-2-5-11(17)7-12(8)18-15(19)13-9-3-4-10(6-9)14(13)16(18)20/h2-5,7,9-10,13-14H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,18,19,4,13,6,2,14,12,5,7,15,11,16,9,20,8,17,10/E:(3,4)(9,10)(13,14)(15,16)(19,20)/rA:20cCCCCCCCNCOCCCCCCOCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s8s15;d16;s14;s12d18;s5;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14FNO2 |
All Atoms: | 34 |
Heavy Atoms: | 20 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 7.07535 |
Area: | 417.049 |
Solvation: | -3.35088 |
Coulombic: | -28.0806 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 271.286 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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