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Chemical ID: 7244970

Chemical ID:

7244970

Name [?]:

2-(3-benzhydryl-1,2,4-oxadiazol-5-yl)acetonitrile

SMILES [?]:

c1ccc(cc1)C(c2ccccc2)c3nc(on3)CC#N

InChi [?]:

InChI=1/C17H13N3O/c18-12-11-15-19-17(20-21-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11H2

InChi Info:

AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,19,20,4,8,16,7,14,21,15,18,17/E:(1,2)(3,4,5,6)(7,8,9,10)(13,14)/rA:21nCCCCCCCCCCCCCCNCONCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d14s17;s16;s19;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₃N₃O
All Atoms:	34
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	9.42348
Area:	485.761
Solvation:	-2.72055
Coulombic:	-15.7988

Bond Count [?]

All:	23
Single:	14
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	275.305
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.18
LogP (Chemaxon):	4.77

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