ChemDB: Chemical Search
Download
Chemical ID: 4582121
Chemical ID:
4582121
Name [?]:
None
SMILES [?]:
Cc1c2c(cc3c1OCN(C3)CC(C)c4ccccc4)c5ccccc5c(=O)o2
InChi [?]:
InChI=1/C25H23NO3/c1-16(18-8-4-3-5-9-18)13-26-14-19-12-22-20-10-6-7-11-21(20)25(27)29-24(22)17(2)23(19)28-15-26/h3-12,16H,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:14,1,18,17,19,23,24,16,20,22,25,5,12,11,9,13,2,15,6,21,26,4,7,3,27,10,28,8,29/E:(4,5)(8,9)/rA:29cCCCCCCCOCNCCCCCCCCCCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s6s10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;s4;s21;d22;s23;d24;d21s25;s26;d27;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23NO3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1097 |
Area: | 593.712 |
Solvation: | -3.73313 |
Coulombic: | -34.6979 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 385.455 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.84 |
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 |
---|