Chemical ID: 5775641

Cc1c(cccc1Cl)NC(=O)C2C(C3c4ccccc4C2c5c3cccc5)C
Chemical ID:
5775641
Name [?]:
None
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)C2C(C3c4ccccc4C2c5c3cccc5)C
InChi [?]:
InChI=1/C25H22ClNO/c1-14-20(26)12-7-13-21(14)27-25(28)23-15(2)22-16-8-3-5-10-18(16)24(23)19-11-6-4-9-17(19)22/h3-13,15,22-24H,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,28,17,25,18,26,5,16,24,19,27,6,4,2,13,15,23,20,22,7,3,14,12,21,10,8,9,11/E:(3,4)(5,6)(8,9)(10,11)(16,17)(18,19)/rA:28cCCCCCCCClNCOCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;s12s20;s21;s14s22;d23;s24;d25;d22s26;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22ClNO
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.9045
Area:568.906
Solvation:-2.31812
Coulombic:-24.3553
Bond Count [?]
All:32
Single:22
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:387.901
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.85

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