Chemical ID: 4099668

c1ccc(cc1)C2=NNC(=N)C2=NNc3ccccc3F
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

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Descriptor Annotations

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