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Chemical ID: 4087629
Chemical ID:
4087629
Name [?]:
cyclohexyl 4-(2-furylcarbonylamino)benzoate
SMILES [?]:
c1cc(oc1)C(=O)Nc2ccc(cc2)C(=O)OC3CCCCC3
InChi [?]:
InChI=1/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:21,20,22,1,19,23,2,11,13,10,14,5,12,9,18,3,6,15,8,7,16,4,17/E:(2,3)(5,6)(8,9)(10,11)/rA:23nCCCOCCONCCCCCCCOOCCCCCC/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;s18;s19;s20;s21;s18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19NO4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5114 |
Area: | 530.926 |
Solvation: | -2.76175 |
Coulombic: | -51.2367 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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