Chemical ID: 7663218

CC1=CC(n2c(ncn2)N1)c3ccccc3F
Chemical ID:
7663218
Name [?]:
None
SMILES [?]:
CC1=CC(n2c(ncn2)N1)c3ccccc3F
InChi [?]:
InChI=1/C12H11FN4/c1-8-6-11(9-4-2-3-5-10(9)13)17-12(16-8)14-7-15-17/h2-7,11H,1H3,(H,14,15,16)
InChi Info:
AuxInfo=1/1/N:1,13,14,12,15,3,8,2,11,16,4,6,17,7,9,10,5/rA:17cCCCCNCNCNNCCCCCCF/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s2s6;s4;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11FN4
All Atoms:28
Heavy Atoms:17
Chiral Atoms:None
ZAP Information [?]
Total:7.1276
Area:386.981
Solvation:-2.54693
Coulombic:-27.6742
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.46
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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