Chemical ID: 6692911

c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)O
Chemical ID:
6692911
Name [?]:
3,5-dinitrobenzoic acid
SMILES [?]:
c1c(cc(cc1N(=O)=O)N(=O)=O)C(=O)O
InChi [?]:
InChI=1/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,5,2,6,4,13,7,10,14,15,8,9,11,12/E:(1,2)(5,6)(8,9)(10,11)(12,13,14,15)/CRV:8.5,9.5/rA:15nCCCCCCNOONOOCOO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s4;d10;d10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H4N2O6
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-4.76537
Area:374.329
Solvation:-14.1236
Coulombic:-42.8112
Bond Count [?]
All:15
Single:7
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:212.117
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.42
LogP (Chemaxon):1.47

Name Annotations

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Descriptor Annotations

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