Chemical ID: 7698521

c1cc(cnc1)Cn2cnc3c(c2=O)cnn3c4ccc(cc4)Cl
Chemical ID:
7698521
Name [?]:
None
SMILES [?]:
c1cc(cnc1)Cn2cnc3c(c2=O)cnn3c4ccc(cc4)Cl
InChi [?]:
InChI=1/C17H12ClN5O/c18-13-3-5-14(6-4-13)23-16-15(9-21-23)17(24)22(11-20-16)10-12-2-1-7-19-8-12/h1-9,11H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,20,22,19,23,6,4,15,7,9,3,21,18,12,11,13,24,5,10,16,8,17,14/E:(3,4)(5,6)/rA:24nCCCCNCCNCNCCCOCNNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12ClN5O
All Atoms:36
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:9.96088
Area:527.125
Solvation:-3.21724
Coulombic:-31.9685
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.15
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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