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Chemical ID: 6595727
Chemical ID:
6595727
Name [?]:
(4-acetylphenyl)carbamoylmethyl cyclopropanecarboxylate
SMILES [?]:
CC(=O)c1ccc(cc1)NC(=O)COC(=O)C2CC2
InChi [?]:
InChI=1/C14H15NO4/c1-9(16)10-4-6-12(7-5-10)15-13(17)8-19-14(18)11-2-3-11/h4-7,11H,2-3,8H2,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,18,19,5,9,6,8,13,2,4,17,7,11,15,10,3,12,16,14/E:(2,3)(4,5)(6,7)/rA:19nCCOCCCCCCNCOCOCOCCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;s17;s17s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15NO4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.6259 |
Area: | 477.207 |
Solvation: | -4.30428 |
Coulombic: | -45.6207 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 261.273 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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