Chemical ID: 4340860

c1cc(ccc1NC(=S)NCc2ccc3c(c2)OCO3)Cl
Chemical ID:
4340860
Name [?]:
3-(benzo[1,3]dioxol-5-ylmethyl)-1-(4-chlorophenyl)-thiourea
SMILES [?]:
c1cc(ccc1NC(=S)NCc2ccc3c(c2)OCO3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C15H13ClN2O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.0421
Area:514.358
Solvation:-2.81686
Coulombic:-42.3342
Bond Count [?]
All:23
Single:16
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.795
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):4.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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