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Chemical ID: 6424862
Chemical ID:
6424862
Name [?]:
methyl 2-(2-nitrophenyl)aminobenzoate
SMILES [?]:
COC(=O)c1ccccc1Nc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C14H12N2O4/c1-20-14(17)10-6-2-3-7-11(10)15-12-8-4-5-9-13(12)16(18)19/h2-9,15H,1H3
InChi Info:
AuxInfo=1/0/N:1,7,8,14,15,6,9,13,16,5,10,12,17,3,11,18,4,19,20,2/E:(18,19)/CRV:16.5/rA:20nCOCOCCCCCCNCCCCCCN+OO-/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12N2O4 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.44543 |
Area: | 445.19 |
Solvation: | -7.68431 |
Coulombic: | -44.8939 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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