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Chemical ID: 4812232
Chemical ID:
4812232
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)F)CCO
InChi [?]:
InChI=1/C19H14FNO4/c20-12-7-5-11(6-8-12)16-15-17(23)13-3-1-2-4-14(13)25-18(15)19(24)21(16)9-10-22/h1-8,16,22H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,23,24,16,19,5,4,9,15,7,10,12,22,14,25,8,13,11/E:(5,6)(7,8)/rA:25cCCCCCCCOCCOCONCCCCCCCFCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s19;s14;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14FNO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.95715 |
Area: | 505.604 |
Solvation: | -4.68295 |
Coulombic: | -55.9306 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 339.317 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 2.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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