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Chemical ID: 6477393

Chemical ID:

6477393

Name [?]:

2-[(4-phenoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

SMILES [?]:

c1ccc(cc1)Oc2ccc(cc2)NC(=O)C3CC3C(=O)O

InChi [?]:

InChI=1/C17H15NO4/c19-16(14-10-15(14)17(20)21)18-11-6-8-13(9-7-11)22-12-4-2-1-3-5-12/h1-9,14-15H,10H2,(H,18,19)(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,10,12,9,13,18,11,4,8,17,19,15,20,14,16,21,22,7/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:22cCCCCCCOCCCCCCNCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s17s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅NO₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	7.7762
Area:	489.194
Solvation:	-4.45366
Coulombic:	-53.0621

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	297.305
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	2.02
LogP (Chemaxon):	2.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value