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Chemical ID: 5340550
Chemical ID:
5340550
Name [?]:
p-tolylcarbamoylmethyl cyclobutanecarboxylate
SMILES [?]:
Cc1ccc(cc1)NC(=O)COC(=O)C2CCC2
InChi [?]:
InChI=1/C14H17NO3/c1-10-5-7-12(8-6-10)15-13(16)9-18-14(17)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,7,4,6,11,2,15,5,9,13,8,10,14,12/E:(3,4)(5,6)(7,8)/rA:18nCCCCCCCNCOCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s16;s15s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.20407 |
Area: | 456.617 |
Solvation: | -3.21134 |
Coulombic: | -39.3215 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 247.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.19 |
LogP (Chemaxon): | 2.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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