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Chemical ID: 7613785
Chemical ID:
7613785
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Nc3ccccc3)C4(c5ccccc5C(=O)O4)c6ccc(cc6O2)N(C)C7CCCCC7
InChi [?]:
InChI=1/C34H32N2O3/c1-22-19-31-29(21-30(22)35-23-11-5-3-6-12-23)34(27-16-10-9-15-26(27)33(37)39-34)28-18-17-25(20-32(28)38-31)36(2)24-13-7-4-8-14-24/h3,5-6,9-12,15-21,24,35H,4,7-8,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,12,37,11,13,36,38,19,18,10,14,35,39,20,17,27,26,3,29,6,2,9,34,28,21,16,25,5,7,4,30,22,15,8,32,23,31,24/E:(5,6)(7,8)(11,12)(13,14)/rA:39cCCCCCCCNCCCCCCCCCCCCCCOOCCCCCCONCCCCCCC/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;s32;s34;s35;s36;s37;s34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H32N2O3 |
All Atoms: | 71 |
Heavy Atoms: | 39 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.353 |
Area: | 719.235 |
Solvation: | -3.62788 |
Coulombic: | -48.916 |
Bond Count [?]
All: | 45 |
Single: | 32 |
Double: | 13 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 8.12 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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