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Chemical ID: 4240000
Chemical ID:
4240000
Name [?]:
2-[2-(1-naphthyloxy)acetyl]aminobenzoic acid
SMILES [?]:
c1ccc2c(c1)cccc2OCC(=O)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H15NO4/c21-18(20-16-10-4-3-9-15(16)19(22)23)12-24-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,8,6,7,3,20,17,9,12,5,4,21,16,10,13,22,15,14,23,24,11/E:(22,23)/rA:24nCCCCCCCCCCOCCONCCCCCCCOO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.78803 |
Area: | 522.097 |
Solvation: | -4.26439 |
Coulombic: | -58.1428 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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