Chemical ID: 4558938

CC1CCC2C(C1)Nc3c(cccc3OC)C2(C)C
Chemical ID:
4558938
Name [?]:
5-methoxy-3,9,9-trimethyl-2,3,4,4a,9a,10-hexahydro-1H-acridine
SMILES [?]:
CC1CCC2C(C1)Nc3c(cccc3OC)C2(C)C
InChi [?]:
InChI=1/C17H25NO/c1-11-8-9-12-14(10-11)18-16-13(17(12,2)3)6-5-7-15(16)19-4/h5-7,11-12,14,18H,8-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,16,12,11,13,3,4,7,2,5,10,6,14,9,17,8,15/E:(2,3)/rA:19cCCCCCCCNCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;d10;s11;d12;d9s13;s14;s15;s5s10;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H25NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:7.94402
Area:428.295
Solvation:-2.76335
Coulombic:-20.5342
Bond Count [?]
All:21
Single:18
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:259.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):4.02

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Descriptor Annotations

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