Chemical ID: 7729434

c1cc(cnc1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)Br
Chemical ID:
7729434
Name [?]:
None
SMILES [?]:
c1cc(cnc1)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)Br
InChi [?]:
InChI=1/C16H11BrN6O/c17-12-3-5-13(6-4-12)23-15-14(20-21-23)16(24)22(10-19-15)9-11-2-1-7-18-8-11/h1-8,10H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,20,22,19,23,6,4,7,9,3,21,18,12,11,13,24,5,10,15,16,8,17,14/E:(3,4)(5,6)/rA:24nCCCCNCCNCNCCCONNNCCCCCCBr/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:C16H11BrN6O
All Atoms:35
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:10.045
Area:521.072
Solvation:-2.9818
Coulombic:-32.9913
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:1.72
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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