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Chemical ID: 6560569
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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