Chemical ID: 5754134

c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccc(c(c4)Cl)Cl)c5ccc(cc5)Cl
Chemical ID:
5754134
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)c4ccc(c(c4)Cl)Cl)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H17Cl3N2O/c25-16-8-5-14(6-9-16)23-22-18(17-3-1-2-4-21(17)28-22)11-12-29(23)24(30)15-7-10-19(26)20(27)13-15/h1-10,13,23,28H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,25,29,17,26,28,18,13,12,21,24,16,27,5,7,19,20,4,8,10,14,30,23,22,9,11,15/E:(5,6)(8,9)/rA:30cCCCCCCCCNCNCCCOCCCCCCClClCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s11;d14;s14;s16;d17;s18;d19;d16s20;s20;s19;s10;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17Cl3N2O
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:13.1069
Area:632.909
Solvation:-2.7158
Coulombic:-32.1507
Bond Count [?]
All:34
Single:23
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:455.763
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.65
LogP (Chemaxon):6.52

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Descriptor Annotations

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