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Chemical ID: 6762845
Chemical ID:
6762845
Name [?]:
None
SMILES [?]:
CCCOc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2Cc5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C28H23NO6/c1-2-13-32-19-10-8-18(9-11-19)25-24-26(30)20-5-3-4-6-21(20)35-27(24)28(31)29(25)15-17-7-12-22-23(14-17)34-16-33-22/h3-12,14,25H,2,13,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,18,16,19,28,7,9,6,10,29,3,32,26,34,27,8,5,15,20,30,31,12,11,13,22,23,25,14,24,4,35,33,21/E:(8,9)(10,11)/rA:35cCCCOCCCCCCCCCOCCCCCCOCCONCCCCCCCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H23NO6 |
All Atoms: | 58 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.85455 |
Area: | 640.786 |
Solvation: | -6.16511 |
Coulombic: | -59.6713 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 469.485 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.68 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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