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Chemical ID: 6731523
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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