ChemDB: Chemical Search
Download
Chemical ID: 7666583
Chemical ID:
7666583
Name [?]:
None
SMILES [?]:
CC(c1ccncc1)N2Cc3cccc(c3C2=O)C(=O)O
InChi [?]:
InChI=1/C16H14N2O3/c1-10(11-5-7-17-8-6-11)18-9-12-3-2-4-13(16(20)21)14(12)15(18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,4,8,5,7,10,2,3,11,15,16,17,19,6,9,18,20,21/E:(5,6)(7,8)(20,21)/rA:21cCCCCCNCCNCCCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s9s16;d17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.23876 |
Area: | 455.022 |
Solvation: | -4.1368 |
Coulombic: | -47.9526 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.86 |
LogP (Chemaxon): | None |
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 |
---|