Chemical ID: 4623418

COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)Cl
Chemical ID:
4623418
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C2=NN3C(C2)c4ccccc4OC3c5ccc(cc5)Cl
InChi [?]:
InChI=1/C23H19ClN2O2/c1-27-18-12-8-15(9-13-18)20-14-21-19-4-2-3-5-22(19)28-23(26(21)25-20)16-6-10-17(24)11-7-16/h2-13,21,23H,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,23,27,5,7,24,26,4,8,13,6,22,25,3,14,9,12,19,21,28,10,11,2,20/E:(6,7)(8,9)(10,11)(12,13)/rA:28cCOCCCCCCCNNCCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9s12;s12;s14;d15;s16;d17;d14s18;s19;s11s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19ClN2O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:3
ZAP Information [?]
Total:10.4909
Area:594.735
Solvation:-4.37752
Coulombic:-24.0022
Bond Count [?]
All:32
Single:22
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:390.862
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.95
LogP (Chemaxon):5.33

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