Chemical ID: 7676300

Cc1c(sc(n1)NC2CC2)C(=O)C
Chemical ID:
7676300
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)NC2CC2)C(=O)C
InChi [?]:
InChI=1/C9H12N2OS/c1-5-8(6(2)12)13-9(10-5)11-7-3-4-7/h7H,3-4H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,13,9,10,2,11,8,3,5,6,7,12,4/E:(3,4)/rA:13nCCCSCNNCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s8s9;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2OS
All Atoms:25
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:7.56738
Area:372.823
Solvation:-1.7532
Coulombic:-24.619
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:0.76
LogP (Chemaxon):None

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