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Chemical ID: 7383933
Chemical ID:
7383933
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)OC)CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C29H26ClNO6/c1-16-13-23-20(15-21(16)30)27(32)25-26(18-7-10-22(35-3)24(14-18)36-4)31(29(33)28(25)37-23)12-11-17-5-8-19(34-2)9-6-17/h5-10,13-15,26H,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,37,27,25,31,35,19,32,34,20,29,28,3,23,6,2,30,18,33,5,7,21,4,22,11,17,9,12,14,8,16,10,15,36,26,24,13/E:(5,6)(8,9)/rA:37cCCCCCCCClCOCCOCONCCCCCCCOCOCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s16;s28;s29;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26ClNO6 |
All Atoms: | 63 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.6752 |
Area: | 756.365 |
Solvation: | -8.23396 |
Coulombic: | -56.3168 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 519.973 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.61 |
LogP (Chemaxon): | 4.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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