Chemical ID: 4978477

COc1ccc(cc1F)c2csc(n2)C=O
Chemical ID:
4978477
Name [?]:
4-(3-fluoro-4-methoxy-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
COc1ccc(cc1F)c2csc(n2)C=O
InChi [?]:
InChI=1/C11H8FNO2S/c1-15-10-3-2-7(4-8(10)12)9-6-16-11(5-14)13-9/h2-6H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,4,7,15,11,6,8,10,3,13,9,14,16,2,12/rA:16nCOCCCCCCFCCSCNCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;s12;s10d13;s13;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8FNO2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.1481
Area:402.921
Solvation:-4.92493
Coulombic:-24.1199
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.251
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.23
LogP (Chemaxon):2.91

Name Annotations

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Descriptor Annotations

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