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Chemical ID: 4320741

Chemical ID:

4320741

Name [?]:

3,5-bis[(4-chlorophenyl)methyl]-1,2,4-oxadiazole

SMILES [?]:

c1cc(ccc1Cc2nc(on2)Cc3ccc(cc3)Cl)Cl

InChi [?]:

InChI=1/C16H12Cl2N2O/c17-13-5-1-11(2-6-13)9-15-19-16(21-20-15)10-12-3-7-14(18)8-4-12/h1-8H,9-10H2

InChi Info:

AuxInfo=1/0/N:1,5,15,19,2,4,16,18,7,13,6,14,3,17,8,10,21,20,9,12,11/E:(1,2)(3,4)(5,6)(7,8)/rA:21nCCCCCCCCNCONCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d8s11;s10;s13;s14;d15;s16;d17;d14s18;s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₂Cl₂N₂O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2069
Area:	526.607
Solvation:	-1.95826
Coulombic:	-13.9423

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	319.185
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	4.98
LogP (Chemaxon):	5.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value