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Chemical ID: 7375252
Chemical ID:
7375252
Name [?]:
2-naphthylcarbamoylmethyl 2,4-dihydroxybenzoate
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)COC(=O)c3ccc(cc3O)O
InChi [?]:
InChI=1/C19H15NO5/c21-15-7-8-16(17(22)10-15)19(24)25-11-18(23)20-14-6-5-12-3-1-2-4-13(12)9-14/h1-10,21-22H,11H2,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,8,7,20,19,5,22,14,9,4,6,21,18,23,12,16,11,25,24,13,17,15/rA:25nCCCCCCCCCCNCOCOCOCCCCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO5 |
All Atoms: | 40 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25169 |
Area: | 547.082 |
Solvation: | -5.42537 |
Coulombic: | -72.2053 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.326 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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