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Chemical ID: 5756807
Chemical ID:
5756807
Name [?]:
N-(2-methylbenzothiazol-6-yl)formamide
SMILES [?]:
Cc1nc2ccc(cc2s1)NC=O
InChi [?]:
InChI=1/C9H8N2OS/c1-6-11-8-3-2-7(10-5-12)4-9(8)13-6/h2-5H,1H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,6,5,8,12,2,7,4,9,11,3,13,10/rA:13nCCNCCCCCCSNCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s7;s11;d12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8N2OS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.22463 |
Area: | 348.794 |
Solvation: | -2.49523 |
Coulombic: | -23.8552 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 192.239 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.81 |
LogP (Chemaxon): | 1.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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