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Chemical ID: 6421643
Chemical ID:
6421643
Name [?]:
5-phenylpyrimidine
SMILES [?]:
c1ccc(cc1)c2cncnc2
InChi [?]:
InChI=1/C10H8N2/c1-2-4-9(5-3-1)10-6-11-8-12-7-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,8,12,10,4,7,9,11/E:(2,3)(4,5)(6,7)(11,12)/rA:12nCCCCCCCCNCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H8N2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.39111 |
Area: | 319.558 |
Solvation: | -1.59785 |
Coulombic: | -11.1439 |
Bond Count [?]
All: | 13 |
Single: | 7 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 156.184 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.67 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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