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Chemical ID: 4196046
Chemical ID:
4196046
Name [?]:
2,5-dichloro-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2cc(ccc2Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10Cl2N2O4/c1-22-13-7-9(18(20)21)3-5-12(13)17-14(19)10-6-8(15)2-4-11(10)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,6,16,7,13,4,14,5,12,17,8,3,10,19,18,9,20,11,21,22,2/E:(20,21)/CRV:18.5/rA:22nCOCCCCCCNCOCCCCCCClClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.53401 |
Area: | 518.81 |
Solvation: | -8.43624 |
Coulombic: | -39.7646 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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