Chemical ID: 6876138

Cc1ccc(c(c1)NC(=O)COC(=O)c2cc(c(c(c2)[N+](=O)[O-])C)[N+](=O)[O-])C
Chemical ID:
6876138
Name [?]:
(2,5-dimethylphenyl)carbamoylmethyl 4-methyl-3,5-dinitro-benzoate
SMILES [?]:
Cc1ccc(c(c1)NC(=O)COC(=O)c2cc(c(c(c2)[N+](=O)[O-])C)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N3O7
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:0.10191
Area:603.935
Solvation:-14.9965
Coulombic:-57.0673
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:387.344
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:3.12
LogP (Chemaxon):3.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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