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Chemical ID: 6335107
Chemical ID:
6335107
Name [?]:
3-methyl-N-(2-nitrophenyl)-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)Nc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C14H12N2O3/c1-10-5-4-6-11(9-10)14(17)15-12-7-2-3-8-13(12)16(18)19/h2-9H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,13,14,4,3,5,12,15,7,2,6,11,16,8,10,17,9,18,19/E:(18,19)/CRV:16.5/rA:19nCCCCCCCCONCCCCCCN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.08645 |
Area: | 434.018 |
Solvation: | -5.76401 |
Coulombic: | -36.9736 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.257 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.84 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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