ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7454443

Chemical ID:

7454443

Name [?]:

5-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,4-oxadiazol-2-amine

SMILES [?]:

c1ccc(cc1)c2nc(no2)c3nnc(o3)N

InChi [?]:

InChI=1/C10H7N5O2/c11-10-14-13-9(16-10)7-12-8(17-15-7)6-4-2-1-3-5-6/h1-5H,(H2,11,14)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,4,9,7,12,15,17,8,13,14,10,16,11/E:(2,3)(4,5)/rA:17nCCCCCCCNCNOCNNCON/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s9;d12;s13;d14;s12s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₀H₇N₅O₂
All Atoms:	24
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	8.7332
Area:	407.824
Solvation:	-1.46239
Coulombic:	-46.4322

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	229.195
H-Bond Donors:	2
H-Bond Acceptors:	1
XLogP:	2.71
LogP (Chemaxon):	1.37

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