Chemical ID: 4271863

c1ccc(cc1)c2cc(nc(n2)Cl)c3ccccc3O
Chemical ID:
4271863
Name [?]:
2-(2-chloro-6-phenyl-pyrimidin-4-yl)phenol
SMILES [?]:
c1ccc(cc1)c2cc(nc(n2)Cl)c3ccccc3O
InChi [?]:
InChI=1/C16H11ClN2O/c17-16-18-13(11-6-2-1-3-7-11)10-14(19-16)12-8-4-5-9-15(12)20/h1-10,20H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,3,5,15,18,8,4,14,7,9,19,11,13,12,10,20/E:(2,3)(6,7)/rA:20nCCCCCCCCCNCNClCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s11;s9;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11ClN2O
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.2605
Area:468.778
Solvation:-2.45895
Coulombic:-31.249
Bond Count [?]
All:22
Single:13
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.724
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.09
LogP (Chemaxon):4.67

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Descriptor Annotations

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