Chemical ID: 5756807

Cc1nc2ccc(cc2s1)NC=O
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

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