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Chemical ID: 7663218
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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