Chemical ID: 5837388

c1cc(cc(c1)[N+](=O)[O-])C(C(=O)O)N
Chemical ID:
5837388
Name [?]:
2-amino-2-(3-nitrophenyl)-acetic acid
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(C(=O)O)N
InChi [?]:
InChI=1/C8H8N2O4/c9-7(8(11)12)5-2-1-3-6(4-5)10(13)14/h1-4,7H,9H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,3,5,10,11,14,7,12,13,8,9/E:(11,12)(13,14)/CRV:10.5/rA:14cCCCCCCN+OO-CCOON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s3;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2O4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:1.26876
Area:361.279
Solvation:-7.76321
Coulombic:-50.7938
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.16
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-2.01
LogP (Chemaxon):-1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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