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Chemical ID: 7682723
Chemical ID:
7682723
Name [?]:
None
SMILES [?]:
Cc1cccn2c1nc(c2N)c3ccc(cc3)F
InChi [?]:
InChI=1/C14H12FN3/c1-9-3-2-8-18-13(16)12(17-14(9)18)10-4-6-11(15)7-5-10/h2-8H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,3,13,17,14,16,5,2,12,15,9,10,7,18,11,8,6/E:(4,5)(6,7)/rA:18nCCCCCNCNCCNCCCCCCF/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;s6d9;s10;s9;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12FN3 |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.77083 |
Area: | 405.774 |
Solvation: | -2.37352 |
Coulombic: | -33.3141 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 1 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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