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Chemical ID: 7539825
Chemical ID:
7539825
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)C)c4ccccc4F
InChi [?]:
InChI=1/C20H16FNO3/c1-10-8-13-15(9-11(10)2)25-19-16(18(13)23)17(22(3)20(19)24)12-6-4-5-7-14(12)21/h4-9,17H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,18,21,22,20,23,3,6,2,7,19,4,24,5,11,14,12,10,16,25,15,13,17,9/rA:25cCCCCCCCCOCCCOCNCOCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s14;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16FNO3 |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.578 |
Area: | 499.492 |
Solvation: | -3.9093 |
Coulombic: | -38.5294 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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