Chemical ID: 5538310

c1cc(cc(c1)[N+](=O)[O-])C=C(C(=O)O)C(=O)O
Chemical ID:
5538310
Name [?]:
2-[(3-nitrophenyl)methylene]propanedioic acid
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=C(C(=O)O)C(=O)O
InChi [?]:
InChI=1/C10H7NO6/c12-9(13)8(10(14)15)5-6-2-1-3-7(4-6)11(16)17/h1-5H,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,10,3,5,11,12,15,7,13,14,16,17,8,9/E:(9,10)(12,13,14,15)(16,17)/gE:(1,2)/CRV:11.5/rA:17nCCCCCCN+OO-CCCOOCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;d10;s11;d12;s12;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7NO6
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.79236
Area:396.902
Solvation:-8.1302
Coulombic:-65.4976
Bond Count [?]
All:17
Single:10
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.166
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.79
LogP (Chemaxon):1.62

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Descriptor Annotations

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