Chemical ID: 6118592

c1cc(ccc1NN=C2C(=N)NN(C2=N)C(=O)c3ccncc3)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue