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Chemical ID: 7286328
Chemical ID:
7286328
Name [?]:
p-tolylcarbamoylmethyl 2-methylcyclopropane-1-carboxylate
SMILES [?]:
Cc1ccc(cc1)NC(=O)COC(=O)C2CC2C
InChi [?]:
InChI=1/C14H17NO3/c1-9-3-5-11(6-4-9)15-13(16)8-18-14(17)12-7-10(12)2/h3-6,10,12H,7-8H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,18,3,7,4,6,16,11,2,17,5,15,9,13,8,10,14,12/E:(3,4)(5,6)/rA:18cCCCCCCCNCOCOCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s13;s15;s15s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NO3 |
All Atoms: | 35 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.24262 |
Area: | 456.579 |
Solvation: | -3.17186 |
Coulombic: | -39.274 |
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: | 2.13 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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