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Chemical ID: 7300169
Chemical ID:
7300169
Name [?]:
cyclopropylcarbamoylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)NC2CC2
InChi [?]:
InChI=1/C14H16N2O4/c1-9(17)15-11-4-2-10(3-5-11)14(19)20-8-13(18)16-12-6-7-12/h2-5,12H,6-8H2,1H3,(H,15,17)(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,7,9,6,10,19,20,14,2,8,5,18,15,11,4,17,3,16,12,13/E:(2,3)(4,5)(6,7)/rA:20nCCONCCCCCCCOOCCONCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s18s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2O4 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.29188 |
Area: | 500.541 |
Solvation: | -4.22165 |
Coulombic: | -59.2456 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 276.288 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 0.93 |
LogP (Chemaxon): | 0.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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