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Chemical ID: 4173178
Chemical ID:
4173178
Name [?]:
N-(3-chloro-4-methyl-phenyl)-4-methoxy-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2ccc(c(c2)[N+](=O)[O-])OC
InChi [?]:
InChI=1/C15H13ClN2O4/c1-9-3-5-11(8-12(9)16)17-15(19)10-4-6-14(22-2)13(7-10)18(20)21/h3-8H,1-2H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,22,3,13,4,14,17,6,2,12,5,7,16,15,10,8,9,18,11,19,20,21/E:(20,21)/CRV:18.5/rA:22nCCCCCCCClNCOCCCCCCN+OO-OC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.14333 |
Area: | 509.157 |
Solvation: | -10.5856 |
Coulombic: | -37.9405 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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