Chemical ID: 4684259

c1ccc2c(c1)nnn2Cc3nnc(o3)c4ccc(cc4)Br
Chemical ID:
4684259
Name [?]:
1-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2Cc3nnc(o3)c4ccc(cc4)Br
InChi [?]:
InChI=1/C15H10BrN5O/c16-11-7-5-10(6-8-11)15-19-18-14(22-15)9-21-13-4-2-1-3-12(13)17-20-21/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,17,21,18,20,10,16,19,5,4,11,14,22,7,12,13,8,9,15/E:(5,6)(7,8)/rA:22nCCCCCCNNNCCNNCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10BrN5O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1288
Area:500.723
Solvation:-2.38923
Coulombic:-20.1128
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:356.177
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.33
LogP (Chemaxon):3.17

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Descriptor Annotations

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