Chemical ID: 7087306

c1ccc(cc1)c2ccc(cc2)c3c(n4ccccc4n3)C=CC(=O)O
Chemical ID:
7087306
Name [?]:
3-[8-(4-phenylphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]prop-2-enoic acid
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3c(n4ccccc4n3)C=CC(=O)O
InChi [?]:
InChI=1/C22H16N2O2/c25-21(26)14-13-19-22(23-20-8-4-5-15-24(19)20)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-15H,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,17,3,5,19,8,12,9,11,22,23,16,4,7,10,14,20,24,13,21,15,25,26/E:(2,3)(6,7)(9,10)(11,12)(25,26)/rA:26nCCCCCCCCCCCCCCNCCCCCNCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;d16;s17;d18;s15s19;s13d20;s14;w22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O2
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.994
Area:554.041
Solvation:-2.85703
Coulombic:-41.6451
Bond Count [?]
All:29
Single:17
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:340.375
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.78
LogP (Chemaxon):4.71

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