Chemical ID: 6424862

COC(=O)c1ccccc1Nc2ccccc2[N+](=O)[O-]
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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