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Chemical ID: 7463002

Chemical ID:

7463002

Name [?]:

4-[(4-phenylthiazol-2-yl)aminoiminomethyl]benzene-1,2-diol

SMILES [?]:

c1ccc(cc1)c2csc(n2)NN=Cc3ccc(c(c3)O)O

InChi [?]:

InChI=1/C16H13N3O2S/c20-14-7-6-11(8-15(14)21)9-17-19-16-18-13(10-22-16)12-4-2-1-3-5-12/h1-10,20-21H,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,16,17,20,14,8,15,4,7,18,19,10,13,11,12,22,21,9/E:(2,3)(4,5)/rA:22nCCCCCCCCSCNNNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃N₃O₂S
All Atoms:	35
Heavy Atoms:	22
Chiral Atoms:	None

ZAP Information [?]

Total:	8.97081
Area:	528.984
Solvation:	-4.2538
Coulombic:	-49.5589

Bond Count [?]

All:	24
Single:	15
Double:	9
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.79
LogP (Chemaxon):	None

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