Chemical ID: 4240000

c1ccc2c(c1)cccc2OCC(=O)Nc3ccccc3C(=O)O
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue