Chemical ID: 4733254

c1cc(ccc1COc2ccc(cc2)C#N)Cl
Chemical ID:
4733254
Name [?]:
4-[(4-chlorophenyl)methoxy]benzonitrile
SMILES [?]:
c1cc(ccc1COc2ccc(cc2)C#N)Cl
InChi [?]:
InChI=1/C14H10ClNO/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8H,10H2
InChi Info:
AuxInfo=1/0/N:1,5,11,13,2,4,10,14,15,7,12,6,3,9,17,16,8/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCCCCCCOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;t15;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.61593
Area:448.427
Solvation:-2.59476
Coulombic:-13.3299
Bond Count [?]
All:18
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:243.688
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.99
LogP (Chemaxon):3.9

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Descriptor Annotations

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