Chemical ID: 6516600

c1ccc(cc1)C(=O)c2ccc(cc2)C#N
Chemical ID:
6516600
Name [?]:
4-benzoylbenzonitrile
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)C#N
InChi [?]:
InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,13,10,14,15,12,4,9,7,16,8/E:(2,3)(4,5)(6,7)(8,9)/rA:16nCCCCCCCOCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9NO
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.89898
Area:397.04
Solvation:-2.02701
Coulombic:-14.8122
Bond Count [?]
All:17
Single:9
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.227
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.3
LogP (Chemaxon):3.08

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Descriptor Annotations

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