Chemical ID: 5104871

Cc1ccccc1Cc2ccccc2C(=O)c3ccccc3
Chemical ID:
5104871
Name [?]:
[2-(o-tolylmethyl)phenyl]-phenyl-methanone
SMILES [?]:
Cc1ccccc1Cc2ccccc2C(=O)c3ccccc3
InChi [?]:
InChI=1/C21H18O/c1-16-9-5-6-12-18(16)15-19-13-7-8-14-20(19)21(22)17-10-3-2-4-11-17/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,4,5,11,12,3,18,22,6,10,13,8,2,17,7,9,14,15,16/E:(3,4)(10,11)/rA:22nCCCCCCCCCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.4003
Area:486.6
Solvation:-1.7647
Coulombic:-13.9579
Bond Count [?]
All:24
Single:14
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.367
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.98
LogP (Chemaxon):5.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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