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Chemical ID: 7436930
Chemical ID:
7436930
Name [?]:
None
SMILES [?]:
c1cc2c(cc1F)C3(C(=C(N(C4=C3C(=O)CCC4)c5ccc(cc5F)F)N)C#N)C(=O)N2
InChi [?]:
InChI=1/C23H15F3N4O2/c24-11-4-6-16-13(8-11)23(22(32)29-16)14(10-27)21(28)30(17-7-5-12(25)9-15(17)26)18-2-1-3-19(31)20(18)23/h4-9H,1-3,28H2,(H,29,32)
InChi Info:
AuxInfo=1/1/N:17,18,16,1,21,2,20,5,23,28,6,22,4,9,24,3,19,12,14,13,10,30,8,7,26,25,29,27,32,11,15,31/rA:32cCCCCCCFCCCNCCCOCCCCCCCCCFFNCNCON/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s10;s11;s8d12;s13;d14;s14;s16;s12s17;s11;s19;d20;s21;d22;d19s23;s24;s22;s10;s9;t28;s8;d30;s3s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15F3N4O2 |
All Atoms: | 47 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96177 |
Area: | 555.911 |
Solvation: | -5.93601 |
Coulombic: | -62.0655 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 436.386 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.37 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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