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Chemical ID: 4733517

Chemical ID:

4733517

Name [?]:

5-(9H-xanthen-9-yl)-1,3,4-oxadiazol-2-ol

SMILES [?]:

c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)O

InChi [?]:

InChI=1/C15H10N2O3/c18-15-17-16-14(20-15)13-9-5-1-3-7-11(9)19-12-8-4-2-6-10(12)13/h1-8,13H,(H,17,18)

InChi Info:

AuxInfo=1/1/N:1,10,2,11,6,9,3,12,5,8,4,13,7,15,18,16,17,20,14,19/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:20nCCCCCCCCCCCCCOCNNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s16;d17;s15s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₀N₂O₃
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.05027
Area:	422.718
Solvation:	-2.51769
Coulombic:	-41.8918

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	266.252
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.92
LogP (Chemaxon):	2.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value