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Chemical ID: 6688014

Cc1cccc(c1)CC(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

Chemical ID:

6688014

Name [?]:

2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(m-tolyl)propanoic acid

SMILES [?]:

Cc1cccc(c1)CC(C(=O)O)NC(=O)OCC2c3ccccc3-c4c2cccc4

InChi [?]:

InChI=1/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,29,21,28,4,3,5,23,30,20,27,7,8,17,2,6,24,25,19,26,18,9,10,14,13,11,12,15,16/E:(2,3)(4,5)(9,10)(11,12)(18,19)(20,21)(27,28)/rA:30cCCCCCCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s9;s13;d14;s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s24;s18s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃NO₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.6207
Area:	640.88
Solvation:	-3.40127
Coulombic:	-64.2127

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	401.454
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.95
LogP (Chemaxon):	5.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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