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Chemical ID: 5765756
Chemical ID:
5765756
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2C(=O)c5ccc(cc5)F
InChi [?]:
InChI=1/C24H19FN2O/c25-18-12-10-17(11-13-18)24(28)27-15-14-20-19-8-4-5-9-21(19)26-22(20)23(27)16-6-2-1-3-7-16/h1-13,23,26H,14-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,23,27,24,26,17,18,4,22,25,10,9,15,8,7,20,28,16,19,21/E:(2,3)(6,7)(10,11)(12,13)/rA:28cCCCCCCCCCCCCCCCNCCNCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H19FN2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.99389 |
Area: | 542.529 |
Solvation: | -3.56934 |
Coulombic: | -34.7231 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 370.419 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.94 |
LogP (Chemaxon): | 5.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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