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Chemical ID: 6285229
Chemical ID:
6285229
Name [?]:
N-(4-chloro-3-ethyl-benzothiazol-2-ylidene)-2-methyl-propanamide
SMILES [?]:
CCn1c2c(cccc2Cl)sc1=NC(=O)C(C)C
InChi [?]:
InChI=1/C13H15ClN2OS/c1-4-16-11-9(14)6-5-7-10(11)18-13(16)15-12(17)8(2)3/h5-8H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,18,2,7,8,6,16,9,5,4,14,12,10,13,3,15,11/E:(2,3)/rA:18nCCNCCCCCCClSCNCOCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s5;s3s11;w12;s13;d14;s14;s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15ClN2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.13384 |
Area: | 422.047 |
Solvation: | -1.41734 |
Coulombic: | -24.5591 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 282.79 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.72 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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