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Chemical ID: 4387512
Chemical ID:
4387512
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-(3-methyl-4-nitro-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1[N+](=O)[O-])OCC(=O)Nc2cccc(c2C)Cl
InChi [?]:
InChI=1/C16H15ClN2O4/c1-10-8-12(6-7-15(10)19(21)22)23-9-16(20)18-14-5-3-4-13(17)11(14)2/h3-8H,9H2,1-2H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,22,18,19,17,5,6,3,12,2,21,4,20,16,7,13,23,15,8,14,9,10,11/E:(21,22)/CRV:19.5/rA:23nCCCCCCCN+OO-OCCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s4;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.14456 |
Area: | 536.776 |
Solvation: | -9.27484 |
Coulombic: | -39.7931 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.754 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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