Chemical ID: 4514893

c1cc(ccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)[N+](=O)[O-]
Chemical ID:
4514893
Name [?]:
2-[(4-nitrophenyl)carbamoyl]terephthalic acid
SMILES [?]:
c1cc(ccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)[N+](=O)[O-]
InChi [?]:
InChI=1/C15H10N2O7/c18-13(16-9-2-4-10(5-3-9)17(23)24)12-7-8(14(19)20)1-6-11(12)15(21)22/h1-7H,(H,16,18)(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:13,1,5,2,4,14,11,12,6,3,15,10,8,19,16,7,22,9,20,21,17,18,23,24/E:(2,3)(4,5)(19,20)(21,22)(23,24)/CRV:17.5/rA:24nCCCCCCNCOCCCCCCCOOCOON+OO-/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s12;d19;s19;s3;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2O7
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:3.67767
Area:519.779
Solvation:-9.31681
Coulombic:-85.8598
Bond Count [?]
All:25
Single:15
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.249
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:1.99
LogP (Chemaxon):2.09

Name Annotations

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Descriptor Annotations

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