Chemical ID: 6863731

Cc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4c(c(=O)[nH]3)C(=O)C
Chemical ID:
6863731
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4c(c(=O)[nH]3)C(=O)C
InChi [?]:
InChI=1/C25H18N2O3/c1-13-7-9-15(10-8-13)26-19-12-11-18-22-21(20(14(2)28)25(30)27-18)16-5-3-4-6-17(16)24(29)23(19)22/h3-12,26H,1-2H3,(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,30,20,19,21,18,3,7,4,6,11,10,2,28,5,22,17,12,9,24,23,13,14,15,25,8,27,29,16,26/E:(7,8)(9,10)/rA:30nCCCCCCCNCCCCCCCOCCCCCCCCCONCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s13s22;d23;s24;d25;s12s25;s24;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18N2O3
All Atoms:48
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.89046
Area:561.096
Solvation:-4.13694
Coulombic:-47.7836
Bond Count [?]
All:34
Single:21
Double:13
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:394.422
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):4.47

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