Chemical ID: 6601856

C=CCNC(=O)C1c2c(nc3ccccc3n2)NC1=O
Chemical ID:
6601856
Name [?]:
None
SMILES [?]:
C=CCNC(=O)C1c2c(nc3ccccc3n2)NC1=O
InChi [?]:
InChI=1/C14H12N4O2/c1-2-7-15-13(19)10-11-12(18-14(10)20)17-9-6-4-3-5-8(9)16-11/h2-6,10H,1,7H2,(H,15,19)(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,14,13,15,12,3,16,11,7,8,9,5,19,4,17,10,18,6,20/rA:20cCCCNCOCCCNCCCCCCNNCO/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s10;s11;d12;s13;d14;d11s15;d8s16;s9;s7s18;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N4O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.28781
Area:454.516
Solvation:-3.07507
Coulombic:-52.6652
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.271
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.77
LogP (Chemaxon):1.36

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