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Chemical ID: 4802647
Chemical ID:
4802647
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4F)Cc5ccccc5
InChi [?]:
InChI=1/C25H18FNO3/c1-15-11-12-20-18(13-15)23(28)21-22(17-9-5-6-10-19(17)26)27(25(29)24(21)30-20)14-16-7-3-2-4-8-16/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,19,20,26,30,18,21,3,4,7,24,2,25,17,6,22,5,10,16,8,11,13,23,15,9,14,12/E:(3,4)(7,8)/rA:30cCCCCCCCCOCCOCONCCCCCCCFCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s22;s15;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18FNO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.3653 |
Area: | 580.353 |
Solvation: | -4.1435 |
Coulombic: | -40.7795 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 399.414 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.73 |
LogP (Chemaxon): | 5.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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