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Chemical ID: 6177532
Chemical ID:
6177532
Name [?]:
4-chloro-N-(3-methylbenzothiazol-2-ylidene)-benzamide
SMILES [?]:
Cn1c2ccccc2sc1=NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C15H11ClN2OS/c1-18-12-4-2-3-5-13(12)20-15(18)17-14(19)10-6-8-11(16)9-7-10/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,15,19,16,18,14,17,3,8,12,10,20,11,2,13,9/E:(6,7)(8,9)/rA:20nCNCCCCCCSCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11ClN2OS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2826 |
Area: | 475.806 |
Solvation: | -1.6126 |
Coulombic: | -26.524 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.779 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.47 |
LogP (Chemaxon): | 5.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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