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Chemical ID: 5785349

Chemical ID:

5785349

Name [?]:

1-(7-acetyl-9H-carbazol-2-yl)ethanone

SMILES [?]:

CC(=O)c1ccc2c3ccc(cc3[nH]c2c1)C(=O)C

InChi [?]:

InChI=1/C16H13NO2/c1-9(18)11-3-5-13-14-6-4-12(10(2)19)8-16(14)17-15(13)7-11/h3-8,17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,19,5,10,6,9,16,12,2,17,4,11,7,8,15,13,14,3,18/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)/rA:19nCCOCCCCCCCCCCNCCCOC/rB:s1;d2;s2;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;d4s15;s11;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₃NO₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	0

ZAP Information [?]

Total:	7.50569
Area:	438.164
Solvation:	-3.44841
Coulombic:	-26.0001

Bond Count [?]

All:	21
Single:	13
Double:	8
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	251.28
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	3.21
LogP (Chemaxon):	2.46

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value