Chemical ID: 4701330

c1cc2c(cc3c(c2nc1)OCN(C3)Cc4ccc(c(c4)Cl)Cl)Cl
Chemical ID:
4701330
Name [?]:
None
SMILES [?]:
c1cc2c(cc3c(c2nc1)OCN(C3)Cc4ccc(c(c4)Cl)Cl)Cl
InChi [?]:
InChI=1/C18H13Cl3N2O/c19-14-4-3-11(6-16(14)21)8-23-9-12-7-15(20)13-2-1-5-22-17(13)18(12)24-10-23/h1-7H,8-10H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,10,21,5,15,14,12,16,6,3,19,4,20,8,7,23,24,22,9,13,11/rA:24cCCCCCCCCNCOCNCCCCCCCCClClCl/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s7;s11;s12;s6s13;s13;s15;s16;d17;s18;d19;d16s20;s20;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13Cl3N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.96408
Area:553.396
Solvation:-3.87083
Coulombic:-19.5905
Bond Count [?]
All:27
Single:19
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:379.667
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.29
LogP (Chemaxon):5.29

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