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Chemical ID: 4804704
Chemical ID:
4804704
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccccc5F
InChi [?]:
InChI=1/C25H18FNO3/c1-15-10-12-16(13-11-15)14-27-22(17-6-2-4-8-19(17)26)21-23(28)18-7-3-5-9-20(18)30-24(21)25(27)29/h2-13,22H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,16,27,17,25,15,28,18,3,7,4,6,8,2,5,24,14,29,19,11,10,12,21,22,30,9,13,23,20/E:(10,11)(12,13)/rA:30cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18FNO3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4483 |
Area: | 581.886 |
Solvation: | -4.09889 |
Coulombic: | -40.9078 |
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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