Chemical ID: 6760428

CCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)Cl
Chemical ID:
6760428
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1)C2=CC3c4ccccc4OC(N3N2)c5ccc(cc5)Cl
InChi [?]:
InChI=1/C24H21ClN2O2/c1-2-28-19-13-9-16(10-14-19)21-15-22-20-5-3-4-6-23(20)29-24(27(22)26-21)17-7-11-18(25)12-8-17/h3-15,22,24,26H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,24,28,6,8,25,27,5,9,11,7,23,26,4,13,10,12,18,20,29,22,21,3,19/E:(7,8)(9,10)(11,12)(13,14)/rA:29cCCOCCCCCCCCCCCCCCCOCNNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;s10s21;s20;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H21ClN2O2
All Atoms:50
Heavy Atoms:29
Chiral Atoms:3
ZAP Information [?]
Total:11.5778
Area:623.479
Solvation:-4.00919
Coulombic:-30.9984
Bond Count [?]
All:33
Single:23
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:404.889
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.36
LogP (Chemaxon):4.87

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Descriptor Annotations

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