Chemical ID: 3963970

CC1C2Cc3ccc(cc3C1(CCN2CC=C)C)O
Chemical ID:
3963970
Name [?]:
None
SMILES [?]:
CC1C2Cc3ccc(cc3C1(CCN2CC=C)C)O
InChi [?]:
InChI=1/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3
InChi Info:
AuxInfo=1/0/N:17,1,18,16,6,7,12,15,13,4,9,2,5,8,10,3,11,14,19/rA:19cCCCCCCCCCCCCCNCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s3s13;s14;s15;d16;s11;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:8.76079
Area:433.81
Solvation:-2.08446
Coulombic:-23.7328
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:257.371
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):3.61

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue