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Chemical ID: 4405418
Chemical ID:
4405418
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)NC3=C(C(N2)c4c(cccc4Cl)F)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C23H24ClFN2O/c1-12-8-16-17(9-13(12)2)27-22(20-14(24)6-5-7-15(20)25)21-18(26-16)10-23(3,4)11-19(21)28/h5-9,22,26-27H,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:8,1,27,28,17,18,16,6,3,26,24,7,2,19,15,5,4,10,22,14,11,12,25,20,21,9,13,23/E:(3,4)/rA:28cCCCCCCCCNCCCNCCCCCCClFCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s19;s15;s11;d22;s22;s24;s10s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24ClFN2O |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0428 |
Area: | 555.344 |
Solvation: | -2.84084 |
Coulombic: | -35.7639 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 398.901 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.74 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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