ChemDB: Chemical Search
Download
Chemical ID: 7705134
Chemical ID:
7705134
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)OCC(=O)NN=Cc2c3ccccc3ccc2OC(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C30H27ClN2O4/c1-2-3-8-21-13-16-23(17-14-21)36-20-29(34)33-32-19-26-24-10-5-4-9-22(24)15-18-28(26)37-30(35)25-11-6-7-12-27(25)31/h4-7,9-19H,2-3,8,20H2,1H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,2,3,22,21,33,34,4,23,20,32,35,6,10,25,7,9,26,17,12,5,24,8,19,31,18,36,27,13,29,37,16,15,14,30,11,28/E:(13,14)(16,17)/rA:37nCCCCCCCCCCOCCONNCCCCCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;w16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s28;d29;s29;s31;d32;s33;d34;d31s35;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H27ClN2O4 |
All Atoms: | 64 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5807 |
Area: | 763.719 |
Solvation: | -6.51227 |
Coulombic: | -48.2868 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 9.1 |
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 |
---|