Chemical ID: 5095319

COc1ccc(cc1c2cscn2)Br
Chemical ID:
5095319
Name [?]:
4-(5-bromo-2-methoxy-phenyl)thiazole
SMILES [?]:
COc1ccc(cc1c2cscn2)Br
InChi [?]:
InChI=1/C10H8BrNOS/c1-13-10-3-2-7(11)4-8(10)9-5-14-6-12-9/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,10,12,6,8,9,3,14,13,2,11/rA:14nCOCCCCCCCCSCNBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s11;s9d12;s6;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8BrNOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.47048
Area:379.033
Solvation:-3.00534
Coulombic:-11.9693
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.147
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.58
LogP (Chemaxon):3.02

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Descriptor Annotations

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