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Chemical ID: 6118592
Chemical ID:
6118592
Name [?]:
[4-(4-fluorophenyl)aminoimino-3,5-diimino-pyrazolidin-1-yl]-(4-pyridyl)methanone
SMILES [?]:
c1cc(ccc1NN=C2C(=N)NN(C2=N)C(=O)c3ccncc3)F
InChi [?]:
InChI=1/C15H12FN7O/c16-10-1-3-11(4-2-10)20-21-12-13(17)22-23(14(12)18)15(24)9-5-7-19-8-6-9/h1-8,18,20H,(H2,17,22)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,19,23,20,22,18,3,6,9,10,14,16,24,11,15,21,7,8,12,13,17/E:(1,2)(3,4)(5,6)(7,8)/rA:24nCCCCCCNNCCNNNCNCOCCCNCCF/rB:s1;d2;s3;d4;d1s5;s6;s7;w8;s9;w10;s10;s12;s9s13;w14;s13;d16;s16;s18;d19;s20;d21;d18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12FN7O |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.00861 |
Area: | 517.193 |
Solvation: | -4.92122 |
Coulombic: | -64.6542 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 3 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.301 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 2.87 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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