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Chemical ID: 4661762
Chemical ID:
4661762
Name [?]:
None
SMILES [?]:
CCCc1cc(n2c3ccccc3nc2c1C#N)N4CCN(CC4)Cc5ccc(cc5)F
InChi [?]:
InChI=1/C26H26FN5/c1-2-5-20-16-25(32-24-7-4-3-6-23(24)29-26(32)22(20)17-28)31-14-12-30(13-15-31)18-19-8-10-21(27)11-9-19/h3-4,6-11,16H,2,5,12-15,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,10,3,12,9,27,31,28,30,21,23,20,24,5,17,25,26,4,29,16,13,8,6,15,32,18,14,22,19,7/E:(8,9)(10,11)(12,13)(14,15)/rA:32nCCCCCCNCCCCCCNCCCNNCCNCCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;d4s15;s16;t17;s6;s19;s20;s21;s22;s19s23;s22;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26FN5 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7585 |
Area: | 653.955 |
Solvation: | -3.59038 |
Coulombic: | -32.6227 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 427.517 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.28 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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