Chemical ID: 5600527

c1cc(ccc1NN=C2C(=O)NC(=O)NC2=O)F
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

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Descriptor Annotations

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