Chemical ID: 4237354

c1cc(ccc1c2nc(on2)C3CCCCC3)Br
Chemical ID:
4237354
Name [?]:
3-(4-bromophenyl)-5-cyclohexyl-1,2,4-oxadiazole
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCCC3)Br
InChi [?]:
InChI=1/C14H15BrN2O/c15-12-8-6-10(7-9-12)13-16-14(18-17-13)11-4-2-1-3-5-11/h6-9,11H,1-5H2
InChi Info:
AuxInfo=1/0/N:15,14,16,13,17,1,5,2,4,6,12,3,7,9,18,8,11,10/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCCCCCCCNCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s15;s12s16;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15BrN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.1115
Area:447.311
Solvation:-1.07125
Coulombic:-14.3068
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:307.186
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:5.1
LogP (Chemaxon):4.73

Name Annotations

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Descriptor Annotations

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