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Chemical ID: 7080780
Chemical ID:
7080780
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CCN2C(c3c(=O)c4ccccc4oc3C2=O)c5ccc(cc5)OCc6ccccc6
InChi [?]:
InChI=1/C32H25NO4/c34-30-26-13-7-8-14-27(26)37-31-28(30)29(33(32(31)35)20-19-22-9-3-1-4-10-22)24-15-17-25(18-16-24)36-21-23-11-5-2-6-12-23/h1-18,29H,19-21H2
InChi Info:
AuxInfo=1/0/N:1,35,2,6,34,36,16,17,3,5,33,37,15,18,25,29,26,28,7,8,31,4,32,24,27,14,19,11,10,12,21,22,9,13,23,30,20/E:(3,4)(5,6)(9,10)(11,12)(15,16)(17,18)/rA:37cCCCCCCCCNCCCOCCCCCCOCCOCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s9s21;d22;s10;s24;d25;s26;d27;d24s28;s27;s30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H25NO4 |
All Atoms: | 62 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.3849 |
Area: | 732.069 |
Solvation: | -4.91688 |
Coulombic: | -46.7129 |
Bond Count [?]
All: | 42 |
Single: | 27 |
Double: | 15 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 487.545 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.91 |
LogP (Chemaxon): | 6.21 |
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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