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Chemical ID: 5269199
Chemical ID:
5269199
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2CCc5ccc(c(c5)OC)OC)C)C
InChi [?]:
InChI=1/C30H29NO5/c1-17-6-9-21(10-7-17)27-26-28(32)22-14-18(2)19(3)15-24(22)36-29(26)30(33)31(27)13-12-20-8-11-23(34-4)25(16-20)35-5/h6-11,14-16,27H,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,36,35,34,32,3,7,26,4,6,27,24,23,13,16,30,2,14,15,25,5,12,28,17,29,9,8,10,19,20,22,11,21,33,31,18/E:(6,7)(9,10)/rA:36cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29NO5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.7043 |
Area: | 734.111 |
Solvation: | -6.64851 |
Coulombic: | -50.2846 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 483.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.16 |
LogP (Chemaxon): | 5.58 |
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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