Chemical ID: 4254524

CCC12CC3CC1C2C3=O
Chemical ID:
4254524
Name [?]:
None
SMILES [?]:
CCC12CC3CC1C2C3=O
InChi [?]:
InChI=1/C9H12O/c1-2-9-4-5-3-6(9)7(9)8(5)10/h5-7H,2-4H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,4,5,7,8,9,3,10/rA:10cCCCCCCCCCO/rB:s1;s2;s3;s4;s5;s3s6;s3s7;s5s8;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12O
All Atoms:10
Heavy Atoms:10
Chiral Atoms:4
ZAP Information [?]
Total:5.69372
Area:289.838
Solvation:-1.55223
Coulombic:-7.57077
Bond Count [?]
All:12
Single:11
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:136.191
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.31
LogP (Chemaxon):1.95

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Descriptor Annotations

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