Chemical ID: 6638519

c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4cccc(c4)O
Chemical ID:
6638519
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4cccc(c4)O
InChi [?]:
InChI=1/C19H16N4O2/c24-14-6-3-4-12(10-14)11-20-23-19(25)18-16-9-8-13-5-1-2-7-15(13)17(16)21-22-18/h1-7,10-11,24H,8-9H2,(H,21,22)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,6,22,3,7,8,24,18,19,5,23,4,9,10,13,14,17,11,12,16,25,15/rA:25nCCCCCCCCCCNNCCONNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4d9;s10;s11;s9d12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.40886
Area:528.575
Solvation:-3.80552
Coulombic:-47.3696
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:332.356
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):3.56

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