Chemical ID: 6818088

c1ccc(cc1)CC[NH2+]CC(Cn2c3ccccc3c4c2CCCC4)O
Chemical ID:
6818088
Name [?]:
[2-hydroxy-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propyl]-phenethyl-ammonium
SMILES [?]:
c1ccc(cc1)CC[NH2+]CC(Cn2c3ccccc3c4c2CCCC4)O
InChi [?]:
InChI=1/C23H28N2O/c26-19(16-24-15-14-18-8-2-1-3-9-18)17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-4,6,8-10,12,19,24,26H,5,7,11,13-17H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,17,24,16,23,3,5,18,25,15,22,7,8,10,12,4,11,19,20,14,21,9,13,26/E:(2,3)(8,9)/rA:26cCCCCCCCCN+CCCNCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13d20;s21;s22;s23;s20s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29N2O+
All Atoms:55
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-21.8104
Area:590.97
Solvation:-36.5847
Coulombic:11.2364
Bond Count [?]
All:29
Single:22
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:349.489
H-Bond Donors:3
H-Bond Acceptors:2
XLogP:4.05
LogP (Chemaxon):4.81

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Descriptor Annotations

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