Chemical ID: 6557181

Cc1ccc(cc1NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCC3)Cl
Chemical ID:
6557181
Name [?]:
(5-chloro-2-methyl-phenyl)carbamoylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate
SMILES [?]:
Cc1ccc(cc1NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCCC3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20ClN3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:5.68337
Area:640.831
Solvation:-10.3374
Coulombic:-56.5502
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.843
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.03
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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