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Chemical ID: 7613810
Chemical ID:
7613810
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Nc3ccccc3)C4(c5ccccc5C(=O)O4)c6ccc(cc6O2)N7CCCC7
InChi [?]:
InChI=1/C31H26N2O3/c1-20-17-28-26(19-27(20)32-21-9-3-2-4-10-21)31(24-12-6-5-11-23(24)30(34)36-31)25-14-13-22(18-29(25)35-28)33-15-7-8-16-33/h2-6,9-14,17-19,32H,7-8,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,19,18,34,35,10,14,20,17,27,26,33,36,3,29,6,2,9,28,21,16,25,5,7,4,30,22,15,8,32,23,31,24/E:(3,4)(7,8)(9,10)(15,16)/rA:36cCCCCCCCNCCCCCCCCCCCCCCOOCCCCCCONCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s5;s15;s16;d17;s18;d19;d16s20;s21;d22;s15s22;s15;s25;d26;s27;d28;d25s29;s4s30;s28;s32;s33;s34;s32s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H26N2O3 |
All Atoms: | 62 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5432 |
Area: | 656.125 |
Solvation: | -3.85994 |
Coulombic: | -47.9329 |
Bond Count [?]
All: | 42 |
Single: | 29 |
Double: | 13 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.8 |
LogP (Chemaxon): | None |
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
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Chemical Mix | Source | External ID | Descriptor | Value |
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