ChemDB: Chemical Search
Download
Chemical ID: 4575825
Chemical ID:
4575825
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)CCc4ccc(cc4)OC)c5ccc(cc5)C(C)C
InChi [?]:
InChI=1/C31H31NO4/c1-18(2)22-8-10-23(11-9-22)28-27-29(33)25-16-19(3)20(4)17-26(25)36-30(27)31(34)32(28)15-14-21-6-12-24(35-5)13-7-21/h6-13,16-18,28H,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:35,36,1,8,27,21,25,30,32,29,33,22,24,19,18,3,6,34,2,7,20,31,28,23,4,5,11,14,12,10,16,15,13,17,26,9/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:36cCCCCCCCCOCCCOCNCOCCCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;s20;d21;s22;d23;d20s24;s23;s26;s14;s28;d29;s30;d31;d28s32;s31;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H31NO4 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4986 |
Area: | 723.118 |
Solvation: | -4.57932 |
Coulombic: | -44.7219 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 481.582 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.48 |
LogP (Chemaxon): | 6.56 |
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 |
---|