Chemical ID: 6914987

CC(c1cc2ccccc2s1)N(C(=O)N)O
Chemical ID:
6914987
Name [?]:
1-(1-benzothiophen-2-ylethyl)-1-hydroxy-urea
SMILES [?]:
CC(c1cc2ccccc2s1)N(C(=O)N)O
InChi [?]:
InChI=1/C11H12N2O2S/c1-7(13(15)11(12)14)10-6-8-4-2-3-5-9(8)16-10/h2-7,15H,1H3,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,4,2,5,10,3,13,15,12,14,16,11/rA:16cCCCCCCCCCCSNCONO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s2;s12;d13;s13;s12;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2S
All Atoms:28
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.00617
Area:391.283
Solvation:-2.7759
Coulombic:-44.532
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:236.291
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.92
LogP (Chemaxon):1.71

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