3DMET: B04902

Universal description

 
Entry B04902
Name (+)-camphor; d-camphor
Formula C10H16O
Weight 152.235
Canonical SMILES CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
InChI 1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m0/s1
KEGG C00808
 

2D and 3D-structures/descriptors

 
2D-Structure

3D-structure (visualized by JSmol)
 

2D descriptors

3D descriptors

Formal charge 0
Weight 152.237
LogP(o/w) 1.9
SlogP 2.4017
LogS -2.08527
SMR 4.4236
TPSA (A2) 17.07
Number of rings 2
Number of atoms 27
   Chiral atoms 2
   H-bond acceptor 1
   H-bond donor 0
   Acidic atoms 0
   Basic atoms 0
   Aromatic atoms 0
    Heavy atoms 11
Number of bonds 28
   Single bonds 27
   Rotatable single bonds 0
   Double bonds 1
   Triple bonds 0
   Aromatic bonds 0
Volume (A3) 168.875
ASA (A2) 333.701
VSA (A2) 187.917
Density 0.901477
Diameter 4
Dipole (debye) 0.804187
Globularity 0.815512
Potential energy (kcal/mol) 326671
   angle bend energy 326647
   electrostatic energy -326625
   non-bond energy 326643
   out-of-plane energy 326625
   solvation energy 326621
   bond stretch-bend energy 326624
   torsion energy 326630
   Van del Waals energy 326643