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Chemical ID: 6047965
Chemical ID:
6047965
Name [?]:
1-amino-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-ol
SMILES [?]:
C1CCC2C(C1)CC(C2N)O
InChi [?]:
InChI=1/C9H17NO/c10-9-7-4-2-1-3-6(7)5-8(9)11/h6-9,11H,1-5,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,5,4,8,9,10,11/rA:11cCCCCCCCCCNO/rB:s1;s2;s3;s4;s1s5;s5;s7;s4s8;s9;s8;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H17NO |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 6.03119 |
Area: | 303.649 |
Solvation: | -1.56003 |
Coulombic: | -30.1677 |
Bond Count [?]
All: | 12 |
Single: | 12 |
Double: | 0 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 155.237 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 2 |
XLogP: | 1.69 |
LogP (Chemaxon): | 0.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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