Chemical ID: 5579114

c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue