Chemical ID: 4516030

c1cc(ccc1C(=O)Nc2ccc(cc2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
Chemical ID:
4516030
Name [?]:
3-nitro-4-(4-nitrobenzoyl)amino-benzoic acid
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2[N+](=O)[O-])C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H9N3O7/c18-13(8-1-4-10(5-2-8)16(21)22)15-11-6-3-9(14(19)20)7-12(11)17(23)24/h1-7H,(H,15,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,11,14,6,13,3,10,15,7,19,9,22,16,8,20,21,23,24,17,18/E:(1,2)(4,5)(19,20)(21,22)(23,24)/CRV:16.5,17.5/rA:24nCCCCCCCONCCCCCCN+OO-COON+OO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;d16;s16;s13;d19;s19;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:0.344035
Area:518.6
Solvation:-12.621
Coulombic:-71.8633
Bond Count [?]
All:25
Single:15
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.237
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:2.79
LogP (Chemaxon):2.53

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Descriptor Annotations

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