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Chemical ID: 7080815
Chemical ID:
7080815
Name [?]:
None
SMILES [?]:
CCCCOc1ccc(cc1OC)C2c3c(=O)c4cc(ccc4oc3C(=O)N2CCc5ccccc5)C
InChi [?]:
InChI=1/C31H31NO5/c1-4-5-17-36-25-14-12-22(19-26(25)35-3)28-27-29(33)23-18-20(2)11-13-24(23)37-30(27)31(34)32(28)16-15-21-9-7-6-8-10-21/h6-14,18-19,28H,4-5,15-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,13,2,3,34,33,35,32,36,21,8,22,7,30,29,4,19,10,20,31,9,18,23,6,11,15,14,16,25,26,28,17,27,12,5,24/E:(7,8)(9,10)/rA:37cCCCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;d15s24;s25;d26;s14s26;s28;s29;s30;s31;d32;s33;d34;d31s35;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H31NO5 |
All Atoms: | 68 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6841 |
Area: | 771.435 |
Solvation: | -6.60177 |
Coulombic: | -51.4928 |
Bond Count [?]
All: | 41 |
Single: | 29 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 497.582 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.64 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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