Chemical ID: 6560569

c1cc(c(cc1C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl)[N+](=O)[O-])N
Chemical ID:
6560569
Name [?]:
(3,5-dichlorophenyl)carbamoylmethyl 4-amino-3-nitro-benzoate
SMILES [?]:
c1cc(c(cc1C(=O)OCC(=O)Nc2cc(cc(c2)Cl)Cl)[N+](=O)[O-])N
InChi [?]:
InChI=1/C15H11Cl2N3O5/c16-9-4-10(17)6-11(5-9)19-14(21)7-25-15(22)8-1-2-12(18)13(3-8)20(23)24/h1-6H,7,18H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,17,15,19,10,6,16,18,14,3,4,11,7,21,20,25,13,22,12,8,23,24,9/E:(5,6)(9,10)(16,17)(23,24)/CRV:20.5/rA:25nCCCCCCCOOCCONCCCCCCClClN+OO-N/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s16;s4;d22;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl2N3O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.16997
Area:595.4
Solvation:-8.71502
Coulombic:-68.5166
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.17
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:3.54
LogP (Chemaxon):3.53

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