Chemical ID: 5609909

Cc1csc(n1)c2cc3ccccc3oc2=O
Chemical ID:
5609909
Name [?]:
3-(4-methylthiazol-2-yl)chromen-2-one
SMILES [?]:
Cc1csc(n1)c2cc3ccccc3oc2=O
InChi [?]:
InChI=1/C13H9NO2S/c1-8-7-17-12(14-8)10-6-9-4-2-3-5-11(9)16-13(10)15/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,10,13,8,3,2,9,7,14,5,16,6,17,15,4/rA:17nCCCSCNCCCCCCCCOCO/rB:s1;d2;s3;s4;s2d5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.55864
Area:405.544
Solvation:-2.57995
Coulombic:-24.6879
Bond Count [?]
All:19
Single:12
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:243.282
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.35
LogP (Chemaxon):2.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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