Chemical ID: 4215523

c1ccc(cc1)NC(=O)NC2CCS(=O)(=O)C2
Chemical ID:
4215523
Name [?]:
3-(1,1-dioxothiolan-3-yl)-1-phenyl-urea
SMILES [?]:
c1ccc(cc1)NC(=O)NC2CCS(=O)(=O)C2
InChi [?]:
InChI=1/C11H14N2O3S/c14-11(12-9-4-2-1-3-5-9)13-10-6-7-17(15,16)8-10/h1-5,10H,6-8H2,(H2,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,17,4,11,8,7,10,9,15,16,14/E:(2,3)(4,5)(15,16)/CRV:17.6/rA:17cCCCCCCNCONCCCSOOC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;d14;s11s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.82776
Area:428.059
Solvation:-3.87372
Coulombic:-35.487
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.307
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.85
LogP (Chemaxon):0.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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