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Chemical ID: 7375221
Chemical ID:
7375221
Name [?]:
2-naphthylcarbamoylmethyl 2-hydroxy-4-methyl-benzoate
SMILES [?]:
Cc1ccc(c(c1)O)C(=O)OCC(=O)Nc2ccc3ccccc3c2
InChi [?]:
InChI=1/C20H17NO4/c1-13-6-9-17(18(22)10-13)20(24)25-12-19(23)21-16-8-7-14-4-2-3-5-15(14)11-16/h2-11,22H,12H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,3,18,17,4,7,25,12,2,19,24,16,5,6,13,9,15,8,14,10,11/rA:25nCCCCCCCOCOOCCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s11;s12;d13;s13;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17NO4 |
All Atoms: | 42 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.41072 |
Area: | 552.334 |
Solvation: | -4.39764 |
Coulombic: | -57.5634 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 335.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.98 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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