ChemDB: Chemical Search
Download
Chemical ID: 6731526
Chemical ID:
6731526
Name [?]:
2-(tetralin-1-ylcarbamoyl)benzoate
SMILES [?]:
c1ccc2c(c1)CCCC2NC(=O)c3ccccc3C(=O)[O-]
InChi [?]:
InChI=1/C18H17NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-4,6,8-10,16H,5,7,11H2,(H,19,20)(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,17,8,6,7,3,15,18,9,5,4,14,19,10,12,20,11,13,21,22/E:(21,22)/rA:22cCCCCCCCCCCNCOCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16NO3- |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.8842 |
Area: | 471.139 |
Solvation: | -44.6627 |
Coulombic: | -20.7667 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.325 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|