Chemical ID: 7090386

Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)C=CC(=O)O
Chemical ID:
7090386
Name [?]:
3-[3-methyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]prop-2-enoic acid
SMILES [?]:
Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)C=CC(=O)O
InChi [?]:
InChI=1/C18H16N2O2/c1-12-3-6-14(7-4-12)18-15(8-10-17(21)22)20-11-13(2)5-9-16(20)19-18/h3-11H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,17,3,7,13,4,6,18,14,19,11,2,12,5,9,15,20,8,16,10,21,22/E:(3,4)(6,7)(21,22)/rA:22nCCCCCCCCCNCCCCCNCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s12;s9;w18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.90113
Area:493.677
Solvation:-2.44079
Coulombic:-39.9025
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:292.332
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):3.79

Name Annotations

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Descriptor Annotations

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