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Chemical ID: 5600527
Chemical ID:
5600527
Name [?]:
5-(4-fluorophenyl)aminoiminohexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1cc(ccc1NN=C2C(=O)NC(=O)NC2=O)F
InChi [?]:
InChI=1/C10H7FN4O3/c11-5-1-3-6(4-2-5)14-15-7-8(16)12-10(18)13-9(7)17/h1-4,14H,(H2,12,13,16,17,18)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,3,6,9,10,16,13,18,12,15,7,8,11,17,14/E:(1,2)(3,4)(8,9)(12,13)(16,17)/rA:18nCCCCCCNNCCONCONCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;s12;d13;s13;s9s15;d16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7FN4O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.28356 |
Area: | 408.251 |
Solvation: | -3.92273 |
Coulombic: | -65.59 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 250.186 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 0.96 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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