Chemical ID: 6421643

c1ccc(cc1)c2cncnc2
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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