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Chemical ID: 6723953
Chemical ID:
6723953
Name [?]:
2-(4-aminobenzoyl)terephthalate
SMILES [?]:
c1cc(ccc1C(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-])N
InChi [?]:
InChI=1/C15H11NO5/c16-10-4-1-8(2-5-10)13(17)12-7-9(14(18)19)3-6-11(12)15(20)21/h1-7H,16H2,(H,18,19)(H,20,21)/p-2
InChi Info:
AuxInfo=1/1/N:1,5,12,2,4,13,10,6,11,3,14,9,7,18,15,21,8,19,20,16,17/E:(1,2)(4,5)(18,19)(20,21)/rA:21nCCCCCCCOCCCCCCCOO-COO-N/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;d15;s15;s11;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9NO5-2 |
All Atoms: | 30 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -92.6488 |
Area: | 459.702 |
Solvation: | -104.141 |
Coulombic: | -6.26651 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 283.236 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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