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Chemical ID: 6725714
Chemical ID:
6725714
Name [?]:
2-(2-carboxylatocyclohexyl)carbonylaminobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)[O-])NC(=O)C2CCCCC2C(=O)[O-]
InChi [?]:
InChI=1/C15H17NO5/c17-13(9-5-1-2-6-10(9)14(18)19)16-12-8-4-3-7-11(12)15(20)21/h3-4,7-10H,1-2,5-6H2,(H,16,17)(H,18,19)(H,20,21)/p-2
InChi Info:
AuxInfo=1/1/N:15,16,1,2,14,17,6,3,13,18,5,4,11,19,7,10,12,20,21,8,9/E:(18,19)(20,21)/rA:21cCCCCCCCOO-NCOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;s14;s15;s16;s13s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO5-2 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -113.547 |
Area: | 441.544 |
Solvation: | -124.585 |
Coulombic: | 27.2318 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 289.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.33 |
LogP (Chemaxon): | 2.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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