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Chemical ID: 4899478
Chemical ID:
4899478
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)C2C3C(C(=O)N(C3=O)c4ccc5c(c4)OCO5)C6(O2)C(=O)c7ccccc7C6=O
InChi [?]:
InChI=1/C29H21NO7/c1-2-15-7-9-16(10-8-15)24-22-23(29(37-24)25(31)18-5-3-4-6-19(18)26(29)32)28(34)30(27(22)33)17-11-12-20-21(13-17)36-14-35-20/h3-13,22-24H,2,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,32,33,31,34,4,8,5,7,18,19,22,24,3,6,17,30,35,20,21,10,11,9,28,36,15,12,26,14,29,37,16,13,25,23,27/E:(3,4)(5,6)(7,8)(9,10)(18,19)(25,26)(31,32)/rA:37cCCCCCCCCCCCCONCOCCCCCCOCOCOCOCCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s12;s10s14;d15;s14;s17;d18;s19;d20;d17s21;s21;s23;s20s24;s11;s9s26;s26;d28;s28;s30;d31;s32;d33;d30s34;s26s35;d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H21NO7 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 11.4524 |
Area: | 688.975 |
Solvation: | -5.772 |
Coulombic: | -65.477 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 495.48 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 8 |
XLogP: | 3.13 |
LogP (Chemaxon): | 3.3 |
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.
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