Chemical ID: 4939184

CCC1(C(=O)c2cccn2-c3ccccc3O1)c4cccc(c4)C
Chemical ID:
4939184
Name [?]:
None
SMILES [?]:
CCC1(C(=O)c2cccn2-c3ccccc3O1)c4cccc(c4)C
InChi [?]:
InChI=1/C21H19NO2/c1-3-21(16-9-6-8-15(2)14-16)20(23)18-11-7-13-22(18)17-10-4-5-12-19(17)24-21/h4-14H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,13,14,20,8,21,19,12,7,15,9,23,22,18,11,6,16,4,3,10,5,17/rA:24cCCCCOCCCCNCCCCCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s10;s11;d12;s13;d14;d11s15;s3s16;s3;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19NO2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.58344
Area:480.027
Solvation:-2.41723
Coulombic:-27.7604
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.381
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.8
LogP (Chemaxon):4.35

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