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Chemical ID: 4099668
Chemical ID:
4099668
Name [?]:
2-fluoro-N-[(3-imino-5-phenyl-2H-pyrazol-4-ylidene)amino]aniline
SMILES [?]:
c1ccc(cc1)C2=NNC(=N)C2=NNc3ccccc3F
InChi [?]:
InChI=1/C15H12FN5/c16-11-8-4-5-9-12(11)18-20-14-13(19-21-15(14)17)10-6-2-1-3-7-10/h1-9,18H,(H2,17,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,17,3,5,19,16,4,20,15,7,12,10,21,11,14,8,13,9/E:(2,3)(6,7)/rA:21nCCCCCCCNNCNCNNCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;w10;s7s10;w12;s13;s14;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12FN5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.37672 |
Area: | 450.957 |
Solvation: | -2.89721 |
Coulombic: | -39.5111 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.288 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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