Chemical ID: 6725714

c1ccc(c(c1)C(=O)[O-])NC(=O)C2CCCCC2C(=O)[O-]
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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