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Chemical ID: 7089620

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)O)c4cccc(c4)F

Chemical ID:

7089620

Name [?]:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3-fluorophenyl)-propanoic acid

SMILES [?]:

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)O)c4cccc(c4)F

InChi [?]:

InChI=1/C24H20FNO4/c25-16-7-5-6-15(12-16)22(13-23(27)28)26-24(29)30-14-21-19-10-3-1-8-17(19)18-9-2-4-11-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,9,2,10,26,25,27,6,8,3,11,29,20,14,24,28,5,7,4,12,13,19,21,16,30,18,22,23,17,15/E:(1,2)(3,4)(8,9)(10,11)(17,18)(19,20)(27,28)/rA:30cCCCCCCCCCCCCCCOCONCCCOOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s21;s19;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀FNO₄
All Atoms:	50
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1218
Area:	627.267
Solvation:	-4.5599
Coulombic:	-65.915

Bond Count [?]

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

Chemical Properties

Molecular Weight:	405.418
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	4.67
LogP (Chemaxon):	4.83

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