Chemical ID: 4562460

Cn1c2ccc(c3c2c(cc1=O)-c4ccccc4C3=O)Nc5ccccc5
Chemical ID:
4562460
Name [?]:
None
SMILES [?]:
Cn1c2ccc(c3c2c(cc1=O)-c4ccccc4C3=O)Nc5ccccc5
InChi [?]:
InChI=1/C23H16N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h2-13,24H,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,15,16,23,27,14,17,5,4,10,22,13,18,9,6,3,11,8,7,19,21,2,12,20/E:(3,4)(7,8)/rA:27nCNCCCCCCCCCOCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s9;s13;d14;s15;d16;d13s17;s7s18;d19;s6;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H16N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.8431
Area:518.59
Solvation:-3.12164
Coulombic:-37.2075
Bond Count [?]
All:31
Single:19
Double:12
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:352.385
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.99
LogP (Chemaxon):4.94

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