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Chemical ID: 6762769
Chemical ID:
6762769
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C24H16FNO4/c25-16-10-8-14(9-11-16)13-26-21(15-4-3-5-17(27)12-15)20-22(28)18-6-1-2-7-19(18)30-23(20)24(26)29/h1-12,21,27H,13H2
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,6,3,25,29,26,28,21,23,24,16,27,20,5,4,9,15,7,10,12,30,14,22,8,13,11/E:(8,9)(10,11)/rA:30cCCCCCCCOCCOCONCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s14;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H16FNO4 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.92002 |
Area: | 548.751 |
Solvation: | -4.79875 |
Coulombic: | -56.3916 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 401.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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