Chemical ID: 7221577

c1ccc2c(c1)c3nc(nn3cn2)c4ccccc4Br
Chemical ID:
7221577
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3nc(nn3cn2)c4ccccc4Br
InChi [?]:
InChI=1/C15H9BrN4/c16-12-7-3-1-5-10(12)14-18-15-11-6-2-4-8-13(11)17-9-20(15)19-14/h1-9H
InChi Info:
AuxInfo=1/0/N:16,1,17,2,15,6,18,3,12,14,5,19,4,9,7,20,13,8,10,11/rA:20nCCCCCCCNCNNCNCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s11;s4d12;s9;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrN4
All Atoms:29
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.60378
Area:442.739
Solvation:-1.46469
Coulombic:-20.0514
Bond Count [?]
All:23
Single:14
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:325.163
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.03
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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