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Chemical ID: 7692730
Chemical ID:
7692730
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)C(=C(N(C4=C3C(=O)CC(C4)(C)C)c5ccc(cc5)F)n6cccc6)C#N
InChi [?]:
InChI=1/C31H27FN4O2/c1-4-35-24-10-6-5-9-22(24)31(29(35)38)23(19-33)28(34-15-7-8-16-34)36(21-13-11-20(32)12-14-21)25-17-30(2,3)18-26(37)27(25)31/h5-16H,4,17-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,24,2,7,6,34,35,8,5,27,29,26,30,33,36,22,20,37,28,25,9,13,4,16,18,17,14,11,21,10,31,38,32,3,15,19,12/E:(2,3)(7,8)(11,12)(13,14)(15,16)/rA:38cCCNCCCCCCCCOCCNCCCOCCCCCCCCCCCFNCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;d13;s14;s15;s10d16;s17;d18;s18;s20;s16s21;s21;s21;s15;s25;d26;s27;d28;d25s29;s28;s14;s32;d33;s34;s32d35;s13;t37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H27FN4O2 |
All Atoms: | 65 |
Heavy Atoms: | 38 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8145 |
Area: | 656.846 |
Solvation: | -4.60663 |
Coulombic: | -42.4226 |
Bond Count [?]
All: | 43 |
Single: | 30 |
Double: | 12 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.78 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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