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Chemical ID: 5609909
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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