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Chemical ID: 5823045

Chemical ID:

5823045

Name [?]:

9H-fluoren-9-ylmethyl anilinoformate

SMILES [?]:

c1ccc(cc1)NC(=O)OCC2c3ccccc3-c4c2cccc4

InChi [?]:

InChI=1/C21H17NO2/c23-21(22-15-8-2-1-3-9-15)24-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20H,14H2,(H,22,23)

InChi Info:

AuxInfo=1/1/N:1,2,6,16,23,15,22,3,5,17,24,14,21,11,4,18,19,13,20,12,8,7,9,10/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:24cCCCCCCNCOOCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇NO₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1609
Area:	525.086
Solvation:	-1.96628
Coulombic:	-37.5412

Bond Count [?]

All:	27
Single:	17
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	315.365
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	4.72
LogP (Chemaxon):	5.28

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