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Chemical ID: 7089619

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)O)c4ccccc4F

Chemical ID:

7089619

Name [?]:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-fluorophenyl)-propanoic acid

SMILES [?]:

c1ccc2c(c1)-c3ccccc3C2COC(=O)NC(CC(=O)O)c4ccccc4F

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,9,2,10,26,27,6,8,3,11,25,28,20,14,5,7,4,12,24,13,29,19,21,16,30,18,22,23,17,15/E:(1,2)(3,4)(7,8)(9,10)(15,16)(17,18)(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;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.2945
Area:	623.37
Solvation:	-4.28975
Coulombic:	-66.3725

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