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Chemical ID: 5738506

Chemical ID:

5738506

Name [?]:

2-(4-fluorophenyl)imino-5-[(4-fluorophenyl)methylene]thiazol-4-ol

SMILES [?]:

c1cc(ccc1C=C2C(=NC(=Nc3ccc(cc3)F)S2)O)F

InChi [?]:

InChI=1/C16H10F2N2OS/c17-11-3-1-10(2-4-11)9-14-15(21)20-16(22-14)19-13-7-5-12(18)6-8-13/h1-9H,(H,19,20,21)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,15,17,14,18,7,6,3,16,13,8,9,11,22,19,12,10,21,20/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCCCNCNCCCCCCFSOF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s8s11;s9;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₀F₂N₂OS
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	8.64621
Area:	480.52
Solvation:	-3.36678
Coulombic:	-38.6347

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	2
Chiral:	2
Rigid Segments:	3

Chemical Properties

Molecular Weight:	316.326
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.72
LogP (Chemaxon):	5.32

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value