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Chemical ID: 5672243
Chemical ID:
5672243
Name [?]:
1-(2-fluorophenyl)-2-hydroxy-5-[(2-methoxyphenyl)methylene]pyrimidine-4,6-dione
SMILES [?]:
COc1ccccc1C=C2C(=O)N=C(N(C2=O)c3ccccc3F)O
InChi [?]:
InChI=1/C18H13FN2O4/c1-25-15-9-5-2-6-11(15)10-12-16(22)20-18(24)21(17(12)23)14-8-4-3-7-13(14)19/h2-10H,1H3,(H,20,22,24)
InChi Info:
AuxInfo=1/1/N:1,6,21,20,5,7,22,19,4,9,8,10,23,18,3,11,16,14,24,13,15,12,17,25,2/rA:25nCOCCCCCCCCCONCNCOCCCCCCFO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s14;s10s15;d16;s15;s18;d19;s20;d21;d18s22;s23;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13FN2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97933 |
Area: | 507.352 |
Solvation: | -4.70447 |
Coulombic: | -61.7894 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 340.305 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.78 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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