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Chemical ID: 7311199
Chemical ID:
7311199
Name [?]:
methyl 3-cyclopentylcarbonylamino-4-methyl-benzoate
SMILES [?]:
Cc1ccc(cc1NC(=O)C2CCCC2)C(=O)OC
InChi [?]:
InChI=1/C15H19NO3/c1-10-7-8-12(15(18)19-2)9-13(10)16-14(17)11-5-3-4-6-11/h7-9,11H,3-6H2,1-2H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,19,13,14,12,15,3,4,6,2,11,5,7,9,16,8,10,17,18/E:(3,4)(5,6)/rA:19nCCCCCCCNCOCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s5;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19NO3 |
All Atoms: | 38 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.85659 |
Area: | 461.013 |
Solvation: | -2.66873 |
Coulombic: | -40.362 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 261.316 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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