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Chemical ID: 5579114
Chemical ID:
5579114
Name [?]:
N-benzothiazol-2-ylbenzooxazol-2-amine
SMILES [?]:
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
InChi [?]:
InChI=1/C14H9N3OS/c1-3-7-11-9(5-1)15-13(18-11)17-14-16-10-6-2-4-8-12(10)19-14/h1-8H,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,2,16,6,14,3,17,5,13,4,18,8,11,7,12,10,9,19/rA:19nCCCCCCNCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9N3OS |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97931 |
Area: | 440.96 |
Solvation: | -2.04468 |
Coulombic: | -34.5833 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 267.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.82 |
LogP (Chemaxon): | 4.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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