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Chemical ID: 4679242

Chemical ID:

4679242

Name [?]:

1,4-dimethyl-3-phenyl-phenanthrene

SMILES [?]:

Cc1cc(c(c2c1ccc3c2cccc3)C)c4ccccc4

InChi [?]:

InChI=1/C22H18/c1-15-14-21(17-8-4-3-5-9-17)16(2)22-19(15)13-12-18-10-6-7-11-20(18)22/h3-14H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,16,20,19,21,14,13,18,22,15,12,9,8,3,2,5,17,10,7,11,4,6/E:(4,5)(8,9)/rA:22nCCCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s9;s6s10;d11;s12;d13;d10s14;s5;s4;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4541
Area:	465.814
Solvation:	-1.1912
Coulombic:	-5.09247

Bond Count [?]

All:	25
Single:	15
Double:	10
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	282.378
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	7.37
LogP (Chemaxon):	6.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value