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Chemical ID: 6908191

CCc1cccc(c1NC(=O)COC(=O)c2cccc3c2cccc3)CC

Chemical ID:

6908191

Name [?]:

(2,6-diethylphenyl)carbamoylmethyl naphthalene-1-carboxylate

SMILES [?]:

CCc1cccc(c1NC(=O)COC(=O)c2cccc3c2cccc3)CC

InChi [?]:

InChI=1/C23H23NO3/c1-3-16-10-7-11-17(4-2)22(16)24-21(25)15-27-23(26)20-14-8-12-18-9-5-6-13-19(18)20/h5-14H,3-4,15H2,1-2H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,27,2,26,24,23,5,18,25,4,6,19,22,17,12,3,7,20,21,16,10,8,14,9,11,15,13/E:(1,2)(3,4)(10,11)(16,17)/rA:27nCCCCCCCCNCOCOCOCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃NO₃
All Atoms:	50
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5358
Area:	592.53
Solvation:	-3.27741
Coulombic:	-43.6432

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	361.434
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	5.34
LogP (Chemaxon):	4.11

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