ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 5028694

Chemical ID:

5028694

Name [?]:

7-nitro-9H-fluoren-2-ol

SMILES [?]:

c1cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O

InChi [?]:

InChI=1/C13H9NO3/c15-11-2-4-13-9(7-11)5-8-6-10(14(16)17)1-3-12(8)13/h1-4,6-7,15H,5H2

InChi Info:

AuxInfo=1/0/N:1,14,2,13,10,5,16,4,11,6,15,3,12,7,17,8,9/E:(16,17)/CRV:14.5/rA:17nCCCCCCN+OO-CCCCCCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;s3s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₉NO₃
All Atoms:	17
Heavy Atoms:	17
Chiral Atoms:	0

ZAP Information [?]

Total:	2.69949
Area:	395.021
Solvation:	-7.17603
Coulombic:	-28.7114

Bond Count [?]

All:	19
Single:	12
Double:	7
Rotors:	1
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	227.215
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	3.27
LogP (Chemaxon):	3.43

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