Chemical ID: 7115892

COCCNc1ccc(cc1[N+](=O)[O-])C(=O)O
Chemical ID:
7115892
Name [?]:
4-(2-methoxyethylamino)-3-nitro-benzoic acid
SMILES [?]:
COCCNc1ccc(cc1[N+](=O)[O-])C(=O)O
InChi [?]:
InChI=1/C10H12N2O5/c1-17-5-4-11-8-3-2-7(10(13)14)6-9(8)12(15)16/h2-3,6,11H,4-5H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,8,7,4,3,10,9,6,11,15,5,12,16,17,13,14,2/E:(13,14)(15,16)/CRV:12.5/rA:17nCOCCNCCCCCCN+OO-COO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;d12;s12;s9;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O5
All Atoms:29
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.83185
Area:426.104
Solvation:-8.82074
Coulombic:-58.343
Bond Count [?]
All:17
Single:12
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:240.213
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.51
LogP (Chemaxon):1.58

Name Annotations

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Descriptor Annotations

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