Chemical ID: 6638520

c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4ccccc4O
Chemical ID:
6638520
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CCc3c2[nH]nc3C(=O)NN=Cc4ccccc4O
InChi [?]:
InChI=1/C19H16N4O2/c24-16-8-4-2-6-13(16)11-20-23-19(25)18-15-10-9-12-5-1-3-7-14(12)17(15)21-22-18/h1-8,11,24H,9-10H2,(H,21,22)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,21,2,22,6,20,3,23,7,8,18,5,19,4,9,24,10,13,14,17,11,12,16,25,15/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.48581
Area:525.857
Solvation:-3.66061
Coulombic:-47.8658
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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