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Chemical ID: 7529160
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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