Chemical ID: 5014452

COc1ccc2c(c1)c3c([nH]2)c(=O)n(c(=O)[nH]3)N=Cc4ccccc4
Chemical ID:
5014452
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)c(=O)n(c(=O)[nH]3)N=Cc4ccccc4
InChi [?]:
InChI=1/C18H14N4O3/c1-25-12-7-8-14-13(9-12)15-16(20-14)17(23)22(18(24)21-15)19-10-11-5-3-2-4-6-11/h2-10,20H,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,4,5,8,19,20,3,7,6,9,10,12,15,18,11,17,14,13,16,2/E:(3,4)(5,6)/rA:25nCOCCCCCCCCNCONCONNCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;d15;s9s15;s14;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N4O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.21505
Area:500.208
Solvation:-4.29016
Coulombic:-57.8087
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:334.329
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):3.7

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