Chemical ID: 4784211

CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
Chemical ID:
4784211
Name [?]:
ethyl 2-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetate
SMILES [?]:
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13ClN4O2S
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.83604
Area:526.866
Solvation:-3.33562
Coulombic:-24.224
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:312.776
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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