Chemical ID: 6731523

CC1CCCCC1NC(=O)c2ccccc2C(=O)[O-]
Chemical ID:
6731523
Name [?]:
2-[(2-methylcyclohexyl)carbamoyl]benzoate
SMILES [?]:
CC1CCCCC1NC(=O)c2ccccc2C(=O)[O-]
InChi [?]:
InChI=1/C15H19NO3/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(18)19/h3-4,7-8,10,13H,2,5-6,9H2,1H3,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,13,14,5,3,12,15,6,2,11,16,7,9,17,8,10,18,19/E:(18,19)/rA:19cCCCCCCCNCOCCCCCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H18NO3-
All Atoms:37
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-33.7623
Area:434.908
Solvation:-44.635
Coulombic:-19.6061
Bond Count [?]
All:20
Single:15
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:260.308
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):2.45

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