Chemical ID: 6321707

Cc1ccc(cc1)Oc2ccc(cc2Cl)N3C(=O)C4C5CC(C4C3=O)C=C5
Chemical ID:
6321707
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Oc2ccc(cc2Cl)N3C(=O)C4C5CC(C4C3=O)C=C5
InChi [?]:
InChI=1/C22H18ClNO3/c1-12-2-7-16(8-3-12)27-18-9-6-15(11-17(18)23)24-21(25)19-13-4-5-14(10-13)20(19)22(24)26/h2-9,11,13-14,19-20H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,26,27,11,4,6,10,21,13,2,22,20,12,5,14,9,23,19,24,17,15,16,25,18,8/E:(2,3)(4,5)(7,8)(13,14)(19,20)(21,22)(25,26)/rA:27cCCCCCCCOCCCCCCClNCOCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;s12;s16;d17;s17;s19;s20;s21;s19s22;s16s23;d24;s22;s20d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18ClNO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:4
ZAP Information [?]
Total:10.6406
Area:566.474
Solvation:-3.5212
Coulombic:-33.4489
Bond Count [?]
All:31
Single:22
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:379.836
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue