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Chemical ID: 6142391
Chemical ID:
6142391
Name [?]:
5-(4-phenylphenyl)aminoiminohexahydropyrimidine-2,4,6-trione
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)NN=C3C(=O)NC(=O)NC3=O
InChi [?]:
InChI=1/C16H12N4O3/c21-14-13(15(22)18-16(23)17-14)20-19-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,19H,(H2,17,18,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,8,12,9,11,4,7,10,15,16,22,19,18,21,13,14,17,23,20/E:(2,3)(4,5)(6,7)(8,9)(14,15)(17,18)(21,22)/rA:23nCCCCCCCCCCCCNNCCONCONCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;s16;s18;d19;s19;s15s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12N4O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1602 |
Area: | 505.727 |
Solvation: | -3.48297 |
Coulombic: | -64.2137 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 308.292 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.74 |
LogP (Chemaxon): | 3.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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