Chemical ID: 4717875

COc1cc(ccc1OCc2cnc(s2)Cl)C=O
Chemical ID:
4717875
Name [?]:
4-[(2-chlorothiazol-5-yl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cc(ccc1OCc2cnc(s2)Cl)C=O
InChi [?]:
InChI=1/C12H10ClNO3S/c1-16-11-4-8(6-15)2-3-10(11)17-7-9-5-14-12(13)18-9/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,7,4,12,17,10,5,11,8,3,14,16,13,18,2,9,15/rA:18nCOCCCCCCOCCCNCSClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s12;d13;s11s14;s14;s5;d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClNO3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:5.95812
Area:476.548
Solvation:-5.95557
Coulombic:-27.1383
Bond Count [?]
All:19
Single:13
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:283.731
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.44
LogP (Chemaxon):2.19

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Descriptor Annotations

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