Chemical ID: 6574378

c1cc(ccc1C#N)NC(=O)COC(=O)C2CC2
Chemical ID:
6574378
Name [?]:
(4-cyanophenyl)carbamoylmethyl cyclopropanecarboxylate
SMILES [?]:
c1cc(ccc1C#N)NC(=O)COC(=O)C2CC2
InChi [?]:
InChI=1/C13H12N2O3/c14-7-9-1-5-11(6-2-9)15-12(16)8-18-13(17)10-3-4-10/h1-2,5-6,10H,3-4,8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,5,17,18,2,4,7,12,6,16,3,10,14,8,9,11,15,13/E:(1,2)(3,4)(5,6)/rA:18nCCCCCCCNNCOCOCOCCC/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;s9;d10;s10;s12;s13;d14;s14;s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.96299
Area:462.807
Solvation:-3.60719
Coulombic:-41.7992
Bond Count [?]
All:19
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:244.246
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.91
LogP (Chemaxon):1.45

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Descriptor Annotations

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