Chemical ID: 4798125

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)Cl
Chemical ID:
4798125
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6Cl)Cl
InChi [?]:
InChI=1/C28H20Cl2N2O4/c1-2-13-31-21-10-6-4-8-19(21)28(27(31)35)23-24(33)18-14-17(29)11-12-22(18)36-25(23)26(34)32(28)15-16-7-3-5-9-20(16)30/h3-12,14H,2,13,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,8,32,7,30,9,33,6,20,21,3,18,28,29,19,17,10,34,5,22,14,15,24,25,12,11,36,35,4,27,16,26,13,23/rA:36cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s34;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H20Cl2N2O4
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:12.4784
Area:657.768
Solvation:-3.96576
Coulombic:-53.8659
Bond Count [?]
All:41
Single:28
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:519.375
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.27
LogP (Chemaxon):5.09

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