Chemical ID: 5798037

c1ccc(cc1)c2ccc(cc2)c3cc4c(nn3)-c5ccccc5C4=O
Chemical ID:
5798037
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3cc4c(nn3)-c5ccccc5C4=O
InChi [?]:
InChI=1/C23H14N2O/c26-23-19-9-5-4-8-18(19)22-20(23)14-21(24-25-22)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-14H
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,8,12,9,11,14,4,7,10,19,24,15,13,16,25,18,17,26/E:(2,3)(6,7)(10,11)(12,13)/rA:26nCCCCCCCCCCCCCCCCNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s15;d16;d13s17;s16;s19;d20;s21;d22;d19s23;s15s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H14N2O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.122
Area:548.673
Solvation:-2.59481
Coulombic:-15.6908
Bond Count [?]
All:30
Single:17
Double:13
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:334.37
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.47
LogP (Chemaxon):4.43

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Descriptor Annotations

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