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Chemical ID: 4796314
Chemical ID:
4796314
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)F
InChi [?]:
InChI=1/C25H20FNO5/c1-2-11-30-17-8-5-15(6-9-17)22-21-23(28)19-13-16(26)7-10-20(19)32-24(21)25(29)27(22)14-18-4-3-12-31-18/h3-10,12-13,22H,2,11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,28,7,9,18,6,10,19,3,30,16,26,8,17,5,27,15,20,12,11,13,22,23,32,25,14,24,4,31,21/E:(5,6)(8,9)/rA:32cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCOF/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20FNO5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.12187 |
Area: | 642.952 |
Solvation: | -6.95193 |
Coulombic: | -51.3065 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 433.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.68 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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