Chemical ID: 7529160

c1cc(cc(c1)Br)c2nc(on2)CC3CCCCC3
Chemical ID:
7529160
Name [?]:
3-(3-bromophenyl)-5-(cyclohexylmethyl)-1,2,4-oxadiazole
SMILES [?]:
c1cc(cc(c1)Br)c2nc(on2)CC3CCCCC3
InChi [?]:
InChI=1/C15H17BrN2O/c16-13-8-4-7-12(10-13)15-17-14(19-18-15)9-11-5-2-1-3-6-11/h4,7-8,10-11H,1-3,5-6,9H2
InChi Info:
AuxInfo=1/0/N:17,16,18,1,15,19,2,6,13,4,14,3,5,10,8,7,9,12,11/E:(2,3)(5,6)/rA:19nCCCCCCBrCNCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrN2O
All Atoms:36
Heavy Atoms:19
Chiral Atoms:None
ZAP Information [?]
Total:10.6641
Area:471.123
Solvation:-1.11397
Coulombic:-14.2146
Bond Count [?]
All:21
Single:16
Double:5
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.88
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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