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Chemical ID: 4489300
Chemical ID:
4489300
Name [?]:
None
SMILES [?]:
c1cc(ccc1CN2C(c3c(=O)c4cc(ccc4oc3C2=O)Cl)c5ccc(c(c5)Cl)Cl)F
InChi [?]:
InChI=1/C24H13Cl3FNO3/c25-14-4-8-19-16(10-14)22(30)20-21(13-3-7-17(26)18(27)9-13)29(24(31)23(20)32-19)11-12-1-5-15(28)6-2-12/h1-10,21H,11H2
InChi Info:
AuxInfo=1/0/N:1,5,25,16,2,4,26,17,29,14,7,6,24,15,3,13,27,28,18,10,9,11,20,21,23,31,30,32,8,12,22,19/E:(1,2)(5,6)/rA:32cCCCCCCCNCCCOCCCCCCOCCOClCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;d10s19;s8s20;d21;s15;s9;s24;d25;s26;d27;d24s28;s28;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H13Cl3FNO3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3508 |
Area: | 625.134 |
Solvation: | -4.27752 |
Coulombic: | -40.8349 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 488.721 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.16 |
LogP (Chemaxon): | 6.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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