Chemical ID: 6560816

c1ccc(c(c1)NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N)Cl
Chemical ID:
6560816
Name [?]:
(2-chlorophenyl)carbamoylmethyl 4-amino-3-nitro-benzoate
SMILES [?]:
c1ccc(c(c1)NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N)Cl
InChi [?]:
InChI=1/C15H12ClN3O5/c16-10-3-1-2-4-12(10)18-14(20)8-24-15(21)9-5-6-11(17)13(7-9)19(22)23/h1-7H,8,17H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,15,16,19,10,14,4,17,5,18,8,12,24,23,7,20,9,13,21,22,11/E:(22,23)/CRV:19.5/rA:24nCCCCCCNCOCOCOCCCCCCN+OO-NCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12ClN3O5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:5.34243
Area:554.11
Solvation:-8.51032
Coulombic:-69.4013
Bond Count [?]
All:25
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:349.726
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:2.91
LogP (Chemaxon):2.36

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